37
INT 1
C       -1.504000     -0.091000      0.073000
Cl      -1.495000      0.663000      1.673000
N       -2.593000     -0.908000     -0.149000
C       -3.929000     -0.355000      0.047000
H       -4.223000      0.299000     -0.786000
H       -3.973000      0.214000      0.973000
H       -4.643000     -1.177000      0.116000
C       -2.500000     -1.800000     -1.292000
H       -1.560000     -2.353000     -1.255000
H       -2.564000     -1.270000     -2.253000
H       -3.323000     -2.514000     -1.239000
C       -0.450000      0.082000     -0.728000
C        0.835000      0.743000     -0.347000
N        1.928000      0.152000     -0.041000
N        0.812000      2.123000     -0.330000
C       -0.132000      2.891000     -1.119000
H       -0.371000      3.821000     -0.598000
H       -1.054000      2.332000     -1.260000
H        0.276000      3.147000     -2.107000
C        2.038000      2.815000      0.007000
H        1.804000      3.862000      0.212000
H        2.776000      2.768000     -0.806000
H        2.489000      2.362000      0.889000
H       -0.498000     -0.336000     -1.726000
C        2.105000     -1.298000      0.101000
C        3.580000     -1.477000      0.493000
H        4.229000     -1.057000     -0.281000
H        3.829000     -2.535000      0.622000
H        3.786000     -0.952000      1.429000
C        1.869000     -2.048000     -1.219000
H        2.430000     -1.574000     -2.029000
H        0.814000     -2.068000     -1.496000
H        2.207000     -3.085000     -1.129000
C        1.236000     -1.894000      1.220000
H        1.535000     -2.928000      1.415000
H        0.177000     -1.893000      0.961000
H        1.366000     -1.320000      2.142000
37
TS 1-2
C        0.764000      1.304000      0.071000
Cl       4.120000     -1.343000     -0.200000
N        1.971000      1.648000     -0.004000
C        2.646000      1.782000     -1.307000
H        1.901000      1.762000     -2.099000
H        3.337000      0.941000     -1.401000
H        3.184000      2.730000     -1.314000
C        2.829000      1.673000      1.196000
H        2.204000      1.612000      2.083000
H        3.386000      2.609000      1.190000
H        3.504000      0.816000      1.132000
C       -0.538000      1.264000      0.167000
C       -0.978000     -0.149000      0.114000
N       -2.091000     -0.711000      0.003000
N        0.265000     -0.884000      0.129000
C        0.409000     -1.861000     -0.947000
H        1.450000     -2.187000     -0.962000
H        0.171000     -1.387000     -1.901000
H       -0.252000     -2.724000     -0.803000
C        0.590000     -1.446000      1.441000
H        1.633000     -1.765000      1.425000
H       -0.056000     -2.301000      1.679000
H        0.463000     -0.685000      2.214000
H       -1.135000      2.162000      0.251000
C       -3.385000     -0.010000     -0.076000
C       -4.444000     -1.109000     -0.215000
H       -4.262000     -1.699000     -1.116000
H       -5.446000     -0.675000     -0.279000
H       -4.409000     -1.780000      0.646000
C       -3.436000      0.894000     -1.315000
H       -3.195000      0.320000     -2.213000
H       -2.743000      1.735000     -1.250000
H       -4.443000      1.303000     -1.429000
C       -3.651000      0.782000      1.210000
H       -4.665000      1.188000      1.189000
H       -2.962000      1.619000      1.339000
H       -3.562000      0.129000      2.082000
37
TS 1-2a
C       -1.446000      0.215000     -0.465000
Cl      -2.088000     -1.265000     -1.404000
N       -2.459000      0.978000     -0.070000
C       -3.859000      0.554000     -0.039000
H       -3.953000     -0.423000      0.436000
H       -4.277000      0.507000     -1.045000
H       -4.418000      1.283000      0.544000
C       -2.211000      2.330000      0.432000
H       -1.142000      2.520000      0.443000
H       -2.618000      2.428000      1.441000
H       -2.702000      3.055000     -0.222000
C       -0.106000      0.641000     -0.661000
C        0.671000     -0.140000      0.211000
N        1.889000     -0.378000      0.523000
N       -0.386000     -0.835000      0.973000
C       -0.615000     -0.251000      2.289000
H       -1.543000     -0.649000      2.706000
H       -0.699000      0.832000      2.198000
H        0.215000     -0.479000      2.967000
C       -0.241000     -2.285000      1.034000
H       -1.161000     -2.719000      1.432000
H        0.603000     -2.566000      1.673000
H       -0.068000     -2.675000      0.032000
H        0.176000      1.418000     -1.355000
C        2.984000      0.251000     -0.220000
C        4.281000     -0.303000      0.380000
H        4.333000     -0.068000      1.446000
H        5.161000      0.119000     -0.115000
H        4.309000     -1.391000      0.272000
C        2.973000      1.778000     -0.038000
H        2.997000      2.026000      1.027000
H        2.079000      2.231000     -0.471000
H        3.848000      2.230000     -0.516000
C        2.940000     -0.109000     -1.714000
H        3.807000      0.309000     -2.235000
H        2.037000      0.271000     -2.196000
H        2.957000     -1.196000     -1.836000
37
INT 2
C       -0.654000      1.223000     -0.003000
Cl      -4.068000     -2.192000     -0.027000
N       -1.798000      1.873000     -0.063000
C       -1.731000      3.330000     -0.064000
H       -0.838000      3.661000     -0.596000
H       -1.713000      3.719000      0.958000
H       -2.608000      3.717000     -0.581000
C       -3.114000      1.276000      0.142000
H       -3.801000      1.690000     -0.597000
H       -3.480000      1.515000      1.144000
H       -3.103000      0.194000      0.020000
C        0.681000      1.518000      0.014000
C        1.039000      0.127000      0.003000
N        1.907000     -0.759000      0.002000
N       -0.467000     -0.249000     -0.004000
C       -0.867000     -0.984000      1.230000
H       -1.926000     -1.239000      1.178000
H       -0.640000     -0.359000      2.092000
H       -0.268000     -1.893000      1.259000
C       -0.869000     -0.967000     -1.246000
H       -1.934000     -1.196000     -1.208000
H       -0.294000     -1.891000     -1.274000
H       -0.618000     -0.342000     -2.101000
H        1.244000      2.433000      0.035000
C        3.348000     -0.436000      0.003000
C        4.092000     -1.772000     -0.017000
H        3.827000     -2.367000      0.860000
H        5.173000     -1.610000     -0.015000
H        3.826000     -2.342000     -0.911000
C        3.706000      0.340000      1.276000
H        3.408000     -0.225000      2.163000
H        3.212000      1.315000      1.306000
H        4.785000      0.506000      1.321000
C        3.704000      0.376000     -1.248000
H        4.784000      0.542000     -1.290000
H        3.213000      1.353000     -1.248000
H        3.404000     -0.162000     -2.150000
37
TS 2-3
C       -0.804000      1.244000      0.021000
Cl      -4.089000     -2.373000     -0.004000
N       -1.974000      1.850000     -0.046000
C       -1.989000      3.307000     -0.041000
H       -1.201000      3.692000     -0.691000
H       -1.846000      3.695000      0.971000
H       -2.951000      3.648000     -0.421000
C       -3.263000      1.171000      0.029000
H       -3.872000      1.465000     -0.828000
H       -3.776000      1.464000      0.948000
H       -3.158000      0.088000      0.020000
C        0.479000      1.732000      0.082000
C        1.215000      0.528000      0.046000
N        2.116000     -0.240000      0.033000
N       -0.599000     -0.179000      0.001000
C       -0.887000     -0.933000      1.227000
H       -1.909000     -1.323000      1.226000
H       -0.719000     -0.291000      2.092000
H       -0.186000     -1.771000      1.264000
C       -0.901000     -0.897000     -1.242000
H       -1.923000     -1.286000     -1.243000
H       -0.201000     -1.734000     -1.309000
H       -0.740000     -0.231000     -2.089000
H        0.880000      2.730000      0.153000
C        3.561000     -0.441000     -0.012000
C        3.835000     -1.620000     -0.947000
H        3.334000     -2.520000     -0.587000
H        4.910000     -1.811000     -0.992000
H        3.479000     -1.401000     -1.956000
C        4.020000     -0.762000      1.413000
H        3.517000     -1.656000      1.787000
H        3.803000      0.071000      2.086000
H        5.097000     -0.941000      1.416000
C        4.228000      0.836000     -0.529000
H        5.310000      0.690000     -0.582000
H        4.025000      1.676000      0.138000
H        3.864000      1.083000     -1.529000
37
INT 3
C       -0.973000      0.908000      0.028000
Cl      -3.635000     -2.360000     -0.758000
N       -2.019000      1.743000      0.005000
C       -1.854000      3.165000     -0.273000
H       -1.990000      3.379000     -1.338000
H       -0.872000      3.505000      0.046000
H       -2.611000      3.711000      0.290000
C       -3.404000      1.270000     -0.002000
H       -3.921000      1.775000     -0.821000
H       -3.913000      1.513000      0.934000
H       -3.443000      0.196000     -0.184000
C        0.234000      1.301000     -0.650000
C        1.450000      0.922000     -0.242000
N        2.539000      0.694000      0.168000
N       -1.056000     -0.253000      0.686000
C       -1.925000     -0.442000      1.844000
H       -2.796000     -1.046000      1.581000
H       -2.234000      0.523000      2.242000
H       -1.345000     -0.962000      2.609000
C       -0.297000     -1.439000      0.309000
H       -0.984000     -2.286000      0.320000
H        0.525000     -1.618000      1.010000
H        0.090000     -1.332000     -0.702000
H        0.184000      1.994000     -1.479000
C        3.608000     -0.297000     -0.062000
C        3.806000     -1.041000      1.259000
H        4.059000     -0.346000      2.061000
H        4.623000     -1.758000      1.147000
H        2.904000     -1.589000      1.539000
C        4.860000      0.503000     -0.427000
H        5.114000      1.208000      0.367000
H        4.709000      1.058000     -1.356000
H        5.698000     -0.184000     -0.567000
C        3.221000     -1.254000     -1.188000
H        4.048000     -1.940000     -1.382000
H        3.007000     -0.706000     -2.110000
H        2.345000     -1.847000     -0.918000
53
TS 3-4
C        1.442000     -0.661000      0.375000
Cl       5.365000      0.450000     -1.517000
N        2.088000     -1.724000      0.917000
C        1.353000     -2.882000      1.394000
H        1.197000     -3.626000      0.602000
H        0.387000     -2.575000      1.791000
H        1.928000     -3.352000      2.194000
C        3.521000     -1.935000      0.734000
H        3.673000     -2.914000      0.272000
H        4.050000     -1.916000      1.692000
H        3.944000     -1.178000      0.073000
C        0.151000     -0.843000     -0.160000
C       -0.827000      0.154000     -0.141000
N       -1.054000      1.269000      0.253000
N        2.078000      0.527000      0.371000
C        3.045000      0.905000      1.392000
H        4.063000      0.900000      0.989000
H        2.976000      0.228000      2.241000
H        2.803000      1.916000      1.731000
C        1.897000      1.509000     -0.684000
H        2.886000      1.777000     -1.066000
H        1.389000      2.399000     -0.307000
H        1.313000      1.080000     -1.495000
H       -0.121000     -1.829000     -0.493000
C       -1.895000      2.443000      0.322000
C       -0.990000      3.671000      0.156000
H       -0.205000      3.671000      0.915000
H       -1.581000      4.583000      0.267000
H       -0.524000      3.678000     -0.832000
C       -2.553000      2.475000      1.707000
H       -1.790000      2.480000      2.488000
H       -3.196000      1.606000      1.855000
H       -3.161000      3.377000      1.807000
C       -2.964000      2.455000     -0.779000
H       -3.487000      3.413000     -0.762000
H       -3.715000      1.678000     -0.624000
H       -2.509000      2.339000     -1.766000
N       -2.263000     -0.703000     -1.155000
H       -1.804000     -1.156000     -1.943000
H       -2.773000      0.085000     -1.544000
C       -3.229000     -1.650000     -0.516000
C       -2.507000     -2.953000     -0.174000
H       -1.754000     -2.800000      0.600000
H       -2.025000     -3.386000     -1.056000
H       -3.232000     -3.679000      0.199000
C       -3.772000     -1.006000      0.758000
H       -2.962000     -0.769000      1.451000
H       -4.457000     -1.697000      1.254000
H       -4.327000     -0.090000      0.539000
C       -4.366000     -1.925000     -1.506000
H       -4.889000     -1.001000     -1.770000
H       -5.094000     -2.610000     -1.063000
H       -3.984000     -2.382000     -2.423000
53
INT 4
C       -2.164000     -0.312000     -0.035000
Cl       1.669000     -1.363000      2.999000
N       -3.127000     -1.162000     -0.507000
C       -2.790000     -2.236000     -1.420000
H       -2.493000     -3.151000     -0.892000
H       -1.974000     -1.926000     -2.073000
H       -3.665000     -2.464000     -2.033000
C       -4.409000     -1.310000      0.165000
H       -5.240000     -1.057000     -0.501000
H       -4.449000     -0.664000      1.040000
H       -4.531000     -2.347000      0.496000
C       -0.829000     -0.690000     -0.067000
C        0.285000      0.195000     -0.178000
N        0.234000      1.436000     -0.438000
N       -2.616000      0.864000      0.480000
C       -3.694000      1.610000     -0.143000
H       -4.550000      1.724000      0.531000
H       -4.024000      1.104000     -1.049000
H       -3.332000      2.607000     -0.414000
C       -1.931000      1.549000      1.553000
H       -2.676000      1.921000      2.263000
H       -1.336000      2.387000      1.178000
H       -1.266000      0.857000      2.069000
H       -0.628000     -1.747000     -0.056000
C        1.299000      2.443000     -0.404000
C        0.608000      3.767000     -0.766000
H        0.161000      3.696000     -1.760000
H        1.321000      4.596000     -0.759000
H       -0.188000      3.988000     -0.050000
C        2.408000      2.207000     -1.445000
H        1.969000      2.021000     -2.428000
H        3.073000      1.373000     -1.205000
H        3.040000      3.095000     -1.513000
C        1.890000      2.582000      1.011000
H        2.582000      3.429000      1.043000
H        2.444000      1.700000      1.346000
H        1.092000      2.760000      1.735000
N        1.597000     -0.510000      0.085000
H        1.576000     -0.879000      1.082000
H        2.312000      0.211000      0.100000
C        2.119000     -1.611000     -0.849000
C        1.806000     -1.248000     -2.295000
H        2.295000     -0.321000     -2.599000
H        0.730000     -1.148000     -2.453000
H        2.172000     -2.050000     -2.940000
C        3.628000     -1.646000     -0.594000
H        4.102000     -0.693000     -0.849000
H        4.083000     -2.419000     -1.214000
H        3.838000     -1.875000      0.454000
C        1.514000     -2.967000     -0.480000
H        1.517000     -3.125000      0.601000
H        2.124000     -3.747000     -0.940000
H        0.500000     -3.086000     -0.860000
53
INT 5
C      -1.530000   -0.978000    0.302000
N      -2.564000   -1.639000   -0.269000
C      -2.524000   -2.022000   -1.669000
H      -2.137000   -3.040000   -1.802000
H      -1.906000   -1.317000   -2.222000
H      -3.539000   -1.982000   -2.070000
C      -3.672000   -2.179000    0.501000
H      -4.605000   -1.644000    0.299000
H      -3.451000   -2.120000    1.565000
H      -3.809000   -3.230000    0.233000
C      -0.240000   -1.120000   -0.226000
C       0.758000   -0.122000   -0.227000
N       0.403000    1.170000   -0.111000
N      -1.809000   -0.260000    1.423000
C      -3.028000    0.527000    1.543000
H      -3.679000    0.148000    2.337000
H      -3.558000    0.535000    0.593000
H      -2.754000    1.561000    1.776000
C      -0.820000   -0.010000    2.450000
H      -1.299000   -0.101000    3.429000
H      -0.395000    0.995000    2.360000
H      -0.015000   -0.739000    2.381000
H      -0.032000   -2.028000   -0.769000
C       1.229000    2.374000    0.110000
C       0.240000    3.462000    0.550000
H      -0.544000    3.596000   -0.198000
H       0.766000    4.410000    0.681000
H      -0.231000    3.194000    1.500000
C       1.905000    2.822000   -1.195000
H       1.152000    2.967000   -1.973000
H       2.636000    2.098000   -1.566000
H       2.433000    3.766000   -1.039000
C       2.258000    2.174000    1.232000
H       2.687000    3.145000    1.489000
H       3.082000    1.516000    0.959000
H       1.779000    1.765000    2.125000
N       2.061000   -0.423000   -0.393000
H       2.646000    0.336000   -0.696000
C       2.785000   -1.693000   -0.174000
C       2.611000   -2.647000   -1.363000
H       2.892000   -2.148000   -2.293000
H       1.584000   -3.001000   -1.459000
H       3.254000   -3.521000   -1.232000
C       4.262000   -1.296000   -0.067000
H       4.601000   -0.797000   -0.980000
H       4.878000   -2.185000    0.077000
H       4.425000   -0.625000    0.781000
C       2.354000   -2.354000    1.139000
H       2.469000   -1.655000    1.971000
H       2.989000   -3.223000    1.327000
H       1.317000   -2.688000    1.108000
H      -0.546000    1.368000   -0.438000
Cl     -2.309000    1.828000   -1.779000
16
tBuNH2
N       -0.000000      0.255000      1.468000
C        0.000000     -0.006000      0.018000
C        1.253000     -0.822000     -0.304000
H        1.292000     -1.073000     -1.368000
H        1.263000     -1.749000      0.275000
H        2.158000     -0.256000     -0.059000
C       -0.000000      1.293000     -0.803000
H        0.886000      1.892000     -0.571000
H       -0.886000      1.892000     -0.571000
H       -0.000000      1.088000     -1.878000
C       -1.253000     -0.822000     -0.304000
H       -1.263000     -1.749000      0.275000
H       -1.292000     -1.073000     -1.368000
H       -2.158000     -0.256000     -0.059000
H       -0.809000      0.823000      1.703000
H        0.809000      0.823000      1.703000
38
INT 6a
C       -1.509000     -0.659000     -0.007000
Cl      -1.767000     -0.151000      1.670000
N       -2.012000     -1.910000     -0.292000
C       -3.421000     -2.173000     -0.021000
H       -4.071000     -1.720000     -0.783000
H       -3.699000     -1.781000      0.956000
H       -3.584000     -3.251000     -0.017000
C       -1.529000     -2.530000     -1.514000
H       -0.440000     -2.475000     -1.550000
H       -1.940000     -2.062000     -2.421000
H       -1.825000     -3.580000     -1.507000
C       -0.792000      0.126000     -0.815000
C        0.017000      1.304000     -0.383000
N        1.287000      1.254000     -0.208000
N       -0.654000      2.482000     -0.163000
C       -1.943000      2.760000     -0.763000
H       -2.533000      3.386000     -0.088000
H       -2.488000      1.834000     -0.934000
H       -1.842000      3.288000     -1.721000
C        0.121000      3.643000      0.221000
H       -0.553000      4.396000      0.634000
H        0.659000      4.079000     -0.632000
H        0.859000      3.361000      0.970000
H       -0.684000     -0.175000     -1.850000
C        1.972000     -0.015000     -0.325000
C        1.988000     -0.836000      0.978000
C        3.461000      0.159000     -0.627000
H        1.539000     -0.644000     -1.119000
C        4.049000     -1.223000     -0.327000
H        3.865000      0.912000      0.059000
H        3.649000      0.500000     -1.648000
C        3.228000     -1.752000      0.877000
H        5.121000     -1.191000     -0.123000
H        3.907000     -1.877000     -1.193000
H        3.813000     -1.713000      1.799000
H        2.945000     -2.797000      0.728000
H        1.057000     -1.388000      1.124000
H        2.087000     -0.135000      1.813000
38
TS 6-7a
N        3.470000     -0.223000     -0.352000
C        4.229000      1.015000     -0.395000
H        3.623000      1.799000     -0.848000
H        5.126000      0.859000     -0.995000
H        4.521000      1.349000      0.607000
C        4.213000     -1.472000     -0.316000
H        3.708000     -2.251000     -0.891000
H        4.387000     -1.831000      0.705000
H        5.181000     -1.307000     -0.787000
C        2.164000     -0.144000      0.018000
N        1.615000      0.996000      0.279000
C        0.219000      1.063000      0.411000
C       -0.269000      2.200000      1.332000
C       -1.475000      2.816000      0.612000
C       -1.146000      2.612000     -0.869000
C       -0.596000      1.184000     -0.901000
H       -0.106000      0.052000      0.915000
H        0.549000      2.920000      1.408000
H       -0.495000      1.848000      2.340000
H       -2.389000      2.265000      0.857000
H       -1.629000      3.862000      0.882000
H       -0.378000      3.326000     -1.186000
H       -2.014000      2.732000     -1.520000
H        0.021000      0.957000     -1.772000
H       -1.444000      0.491000     -0.881000
C        1.413000     -1.402000      0.190000
H        1.930000     -2.351000      0.256000
C        0.128000     -1.438000      0.470000
N       -1.008000     -2.010000      0.424000
C       -1.949000     -1.927000      1.549000
H       -2.811000     -1.340000      1.219000
H       -1.456000     -1.459000      2.397000
H       -2.259000     -2.939000      1.812000
C       -1.501000     -2.659000     -0.804000
H       -0.743000     -2.576000     -1.578000
H       -2.420000     -2.149000     -1.102000
H       -1.701000     -3.707000     -0.579000
Cl      -4.136000     -0.175000     -0.676000
38
INT 7a
C        1.809000     -0.075000     -0.169000
Cl       0.173000     -3.264000     -0.442000
N        3.043000     -0.448000      0.116000
C        4.029000      0.512000      0.591000
H        3.696000      0.976000      1.524000
H        4.198000      1.293000     -0.155000
H        4.967000     -0.008000      0.774000
C        3.482000     -1.828000     -0.060000
H        2.634000     -2.444000     -0.359000
H        3.884000     -2.207000      0.882000
H        4.264000     -1.873000     -0.823000
C        1.335000      1.221000     -0.049000
C        0.008000      1.555000     -0.379000
N       -0.857000      0.649000     -0.952000
N       -0.450000      2.803000     -0.244000
C        0.385000      3.850000      0.331000
H        1.233000      4.080000     -0.320000
H        0.756000      3.557000      1.315000
H       -0.217000      4.748000      0.446000
C       -1.815000      3.161000     -0.619000
H       -2.488000      3.095000      0.241000
H       -2.171000      2.494000     -1.401000
H       -1.819000      4.183000     -0.996000
C       -1.572000     -0.146000     -0.260000
C       -2.604000     -1.051000     -0.879000
C       -1.595000     -0.301000      1.239000
H        1.995000      2.006000      0.285000
H        1.154000     -0.878000     -0.507000
C       -3.169000     -1.862000      0.293000
H       -2.162000     -1.660000     -1.668000
H       -3.370000     -0.411000     -1.333000
C       -2.952000     -0.957000      1.516000
H       -1.416000      0.640000      1.764000
H       -0.783000     -0.993000      1.490000
H       -2.585000     -2.778000      0.405000
H       -4.216000     -2.134000      0.151000
H       -3.732000     -0.189000      1.564000
H       -2.966000     -1.506000      2.459000
34
INT 6b
C       -1.387000     -0.052000      0.019000
Cl      -1.340000      0.704000      1.620000
N       -2.547000     -0.752000     -0.229000
C       -3.823000     -0.061000     -0.078000
H       -4.025000      0.608000     -0.926000
H       -3.832000      0.524000      0.840000
H       -4.621000     -0.803000     -0.019000
C       -2.514000     -1.667000     -1.357000
H       -1.629000     -2.302000     -1.293000
H       -2.509000     -1.146000     -2.327000
H       -3.402000     -2.299000     -1.314000
C       -0.308000      0.025000     -0.764000
C        1.038000      0.529000     -0.357000
N        2.030000     -0.238000     -0.092000
N        1.193000      1.893000     -0.265000
C        0.352000      2.814000     -1.004000
H        0.235000      3.739000     -0.433000
H       -0.634000      2.382000     -1.163000
H        0.784000      3.066000     -1.982000
C        2.500000      2.401000      0.096000
H        2.401000      3.448000      0.388000
H        3.214000      2.331000     -0.737000
H        2.903000      1.826000      0.929000
H       -0.374000     -0.404000     -1.757000
C        1.845000     -1.682000     -0.059000
C        1.483000     -2.131000      1.358000
H        2.256000     -1.807000      2.062000
H        1.399000     -3.221000      1.413000
H        0.532000     -1.695000      1.671000
C        3.135000     -2.344000     -0.536000
H        3.965000     -2.071000      0.121000
H        3.382000     -2.017000     -1.549000
H        3.038000     -3.434000     -0.539000
H        1.032000     -2.003000     -0.727000
34
TS 6-7b
N       -3.289000      0.197000     -0.284000
C       -4.159000     -0.967000     -0.300000
H       -3.655000     -1.791000     -0.802000
H       -5.072000     -0.718000     -0.839000
H       -4.417000     -1.295000      0.714000
C       -3.915000      1.506000     -0.170000
H       -3.392000      2.250000     -0.773000
H       -3.974000      1.856000      0.867000
H       -4.928000      1.433000     -0.562000
C       -1.976000     -0.008000     -0.001000
N       -1.517000     -1.196000      0.208000
C       -0.128000     -1.390000      0.244000
C        0.298000     -2.454000      1.242000
C        0.521000     -1.555000     -1.128000
H        0.328000     -0.384000      0.686000
H       -0.064000     -3.428000      0.900000
H       -0.125000     -2.254000      2.228000
H        0.256000     -2.538000     -1.526000
H        0.165000     -0.795000     -1.827000
C       -1.101000      1.176000      0.133000
H       -1.526000      2.170000      0.191000
C        0.190000      1.097000      0.367000
N        1.354000      1.624000      0.344000
C        2.261000      1.491000      1.492000
H        3.056000      0.793000      1.216000
H        1.703000      1.126000      2.351000
H        2.678000      2.474000      1.713000
C        1.929000      2.180000     -0.891000
H        1.166000      2.193000     -1.666000
H        2.769000      1.547000     -1.186000
H        2.272000      3.194000     -0.683000
Cl       4.141000     -0.746000     -0.534000
H        1.609000     -1.485000     -1.046000
H        1.386000     -2.495000      1.315000
34
INT 7b
C        0.945000      1.051000     -0.254000
Cl       2.865000     -2.051000      0.178000
N        1.936000      1.913000     -0.128000
C        1.682000      3.309000      0.192000
H        1.168000      3.396000      1.153000
H        1.069000      3.778000     -0.583000
H        2.632000      3.835000      0.254000
C        3.323000      1.514000     -0.341000
H        3.375000      0.434000     -0.477000
H        3.920000      1.786000      0.533000
H        3.726000      2.026000     -1.219000
C       -0.395000      1.364000     -0.096000
C       -1.407000      0.397000     -0.265000
N       -1.130000     -0.860000     -0.752000
N       -2.693000      0.694000     -0.070000
C       -3.097000      2.010000      0.409000
H       -2.904000      2.780000     -0.343000
H       -2.571000      2.267000      1.331000
H       -4.164000      1.988000      0.620000
C       -3.748000     -0.291000     -0.291000
H       -4.013000     -0.795000      0.643000
H       -3.417000     -1.032000     -1.014000
H       -4.628000      0.218000     -0.683000
C       -0.776000     -1.846000     -0.021000
C       -0.506000     -3.160000     -0.678000
H       -1.140000     -3.934000     -0.237000
H        0.537000     -3.431000     -0.489000
H       -0.683000     -3.101000     -1.751000
C       -0.590000     -1.785000      1.465000
H       -1.123000     -2.612000      1.938000
H       -0.923000     -0.840000      1.894000
H        0.478000     -1.919000      1.668000
H       -0.684000      2.376000      0.142000
H        1.252000      0.033000     -0.485000
