0 mol 41 unq 0 iso 0 dist 9.18836 8.45859 15.3135 6.26099 6.73801 9.75702 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 6.07294 8.45859 6.00929 6.26099 6.42834 9.75702 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 4.5673 6.87036 3.61653 11.1279 9.62637 11.3159 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 4.5673 6.87036 3.61653 5.59308 6.01423 8.50375 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 5.60663 7.49794 6.34854 4.09894 8.58829 7.08628 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 9.22889 7.75543 6.0298 6.26867 5.9249 8.58021 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 6.64915 6.65972 9.87964 5.79235 5.9249 10.1163 numMergedOcc 0
7 mol 79 unq 2 iso 0 dist 6.64915 4.2253 4.31939 5.79235 5.9249 5.82384 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.18097 7.51319 5.22259 12.8729 6.05495 5.61151 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 9.18097 8.49887 7.66499 12.8729 6.05495 6.54289 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 8.83135 9.43839 5.22259 3.97167 6.05495 5.61151 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 7.31426 6.34669 3.77771 9.81259 7.1539 10.4834 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 6.15654 6.61645 3.87825 6.3678 6.72712 5.32369 numMergedOcc 0
13 mol 92 unq 2 iso 0 dist 6.15654 6.61645 3.87825 7.31722 5.39745 7.03417 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 4.86767 7.4113 3.67473 10.8755 9.83981 11.6024 numMergedOcc 0
15 mol 114 unq 1 iso 0 dist 4.86767 7.4113 3.67473 5.27861 6.13559 8.61909 numMergedOcc 0
16 mol 114 unq 2 iso 0 dist 4.86767 7.4113 3.67473 4.8628 6.51395 9.97296 numMergedOcc 0
17 mol 116 unq 0 iso 0 dist 9.2638 9.12145 14.6696 10.3223 7.35992 16.7093 numMergedOcc 0
18 mol 116 unq 1 iso 0 dist 9.2638 9.12145 14.6696 12.8624 6.49383 16.3887 numMergedOcc 0
19 mol 116 unq 2 iso 0 dist 9.2638 8.11048 8.478 10.3223 7.35992 13.3505 numMergedOcc 0
20 mol 116 unq 3 iso 0 dist 9.2638 8.11048 8.478 12.8624 6.49383 11.6657 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 8.46376 9.57243 3.84623 6.55605 5.52683 6.40751 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 8.46376 8.12558 10.3222 6.55605 5.52683 11.6867 numMergedOcc 0
23 mol 174 unq 0 iso 0 dist 5.07761 8.46317 8.95182 6.26251 7.47932 14.49 numMergedOcc 0
24 mol 184 unq 0 iso 0 dist 4.88303 8.5544 8.00739 12.848 9.75763 17.4084 numMergedOcc 0
25 mol 184 unq 1 iso 0 dist 4.88303 8.5544 8.00739 6.36605 7.0685 14.1681 numMergedOcc 0
26 mol 184 unq 2 iso 0 dist 4.88303 8.5544 8.00739 8.2618 6.44904 11.9767 numMergedOcc 0
27 mol 194 unq 0 iso 0 dist 8.09776 7.56217 12.7379 8.91682 9.3402 12.7281 numMergedOcc 0
28 mol 194 unq 1 iso 0 dist 8.09776 9.81055 15.4151 8.91682 9.3402 13.0738 numMergedOcc 0
29 mol 194 unq 2 iso 0 dist 6.57575 7.96463 12.8597 11.7133 9.3402 17.6626 numMergedOcc 0
30 mol 204 unq 0 iso 0 dist 9.23676 8.77524 3.85186 5.64245 7.10526 4.51124 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 9.85821 8.99104 14.7528 10.9858 5.88802 18.2932 numMergedOcc 0
32 mol 253 unq 0 iso 0 dist 9.29788 6.93942 5.68255 15.6651 9.58354 15.0416 numMergedOcc 0
33 mol 253 unq 1 iso 0 dist 9.29788 9.05161 5.57952 15.6651 9.58354 14.9336 numMergedOcc 0
34 mol 253 unq 2 iso 0 dist 9.50983 9.31626 5.68255 14.0411 9.58354 15.0416 numMergedOcc 0
35 mol 253 unq 3 iso 0 dist 9.50983 9.77366 5.57952 14.0411 9.58354 14.9336 numMergedOcc 0
36 mol 254 unq 0 iso 0 dist 7.28781 9.84028 11.9238 6.69832 8.94909 6.59989 numMergedOcc 0
37 mol 254 unq 1 iso 0 dist 7.00841 5.83039 4.4384 9.65183 8.94909 10.5706 numMergedOcc 0
38 mol 254 unq 2 iso 0 dist 7.00841 6.74364 6.09569 9.65183 8.94909 13.1261 numMergedOcc 0
39 mol 256 unq 0 iso 0 dist 9.65136 6.33954 5.59732 5.34142 7.48269 5.85613 numMergedOcc 0
40 mol 266 unq 0 iso 0 dist 6.77259 7.36137 4.60397 5.18289 9.71152 11.9661 numMergedOcc 0
41 mol 266 unq 1 iso 0 dist 6.77259 4.95415 5.26919 5.18289 9.71152 9.73748 numMergedOcc 0
42 mol 280 unq 0 iso 0 dist 9.38952 7.00616 8.71368 9.6632 5.80452 12.0314 numMergedOcc 0
43 mol 280 unq 1 iso 0 dist 9.38952 7.00616 8.71368 12.7222 7.82157 15.3701 numMergedOcc 0
44 mol 284 unq 0 iso 0 dist 4.87349 8.2236 9.94624 5.83318 6.61376 12.6969 numMergedOcc 0
45 mol 292 unq 0 iso 0 dist 8.67838 9.29687 4.30125 9.01459 5.7131 3.93401 numMergedOcc 0
46 mol 294 unq 0 iso 0 dist 7.14502 9.49562 8.15681 6.34998 7.36811 13.2716 numMergedOcc 0
