0 mol 45 unq 0 iso 0 dist 4.5673 6.87036 3.61653 11.1279 9.62637 11.3159 4.44247 7.97558 8.98789 12.0234 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 4.5673 6.87036 3.61653 5.59308 6.01423 8.50375 4.44247 7.97558 8.98789 6.72134 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 7.31426 6.34669 3.77771 9.81259 7.1539 10.4834 7.30364 7.2131 9.22123 5.02124 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 6.15654 6.61645 3.87825 6.3678 6.72712 5.32369 10.9929 7.44343 7.36335 6.12826 numMergedOcc 0
4 mol 92 unq 2 iso 0 dist 6.15654 6.61645 3.87825 7.31722 5.39745 7.03417 10.9929 7.44343 7.36335 5.02124 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 4.86767 7.4113 3.67473 10.8755 9.83981 11.6024 3.97585 7.78223 9.00059 12.097 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 4.86767 7.4113 3.67473 10.8755 9.83981 11.6024 14.7066 12.2512 9.87517 21.4139 numMergedOcc 0
7 mol 114 unq 2 iso 0 dist 4.86767 7.4113 3.67473 10.8755 9.83981 11.6024 10.8705 10.0602 7.90713 18.8682 numMergedOcc 0
8 mol 114 unq 3 iso 0 dist 4.86767 7.4113 3.67473 5.27861 6.13559 8.61909 3.97585 7.78223 9.00059 6.64548 numMergedOcc 0
9 mol 114 unq 4 iso 0 dist 4.86767 7.4113 3.67473 5.27861 6.13559 8.61909 14.7066 12.2512 9.87517 17.9949 numMergedOcc 0
10 mol 114 unq 5 iso 0 dist 4.86767 7.4113 3.67473 5.27861 6.13559 8.61909 10.8705 10.0602 7.90713 14.5862 numMergedOcc 0
11 mol 114 unq 6 iso 0 dist 4.86767 7.4113 3.67473 4.8628 6.51395 9.97296 3.97585 7.78223 9.00059 8.59522 numMergedOcc 0
12 mol 114 unq 7 iso 0 dist 4.86767 7.4113 3.67473 4.8628 6.51395 9.97296 14.7066 12.2512 9.87517 16.2098 numMergedOcc 0
13 mol 114 unq 8 iso 0 dist 4.86767 7.4113 3.67473 4.8628 6.51395 9.97296 10.8705 10.0602 7.90713 13.7573 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 8.46376 8.12558 10.3222 6.55605 5.52683 11.6867 7.38452 14.3082 7.53168 12.5165 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 8.09776 9.81055 15.4151 8.91682 9.3402 13.0738 11.9612 17.2622 9.60788 9.74594 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 9.29788 6.93942 5.68255 15.6651 9.58354 15.0416 8.79627 9.6479 9.137 15.4561 numMergedOcc 0
17 mol 253 unq 1 iso 0 dist 9.29788 9.05161 5.57952 15.6651 9.58354 14.9336 8.79627 9.6479 8.0127 15.4561 numMergedOcc 0
18 mol 253 unq 2 iso 0 dist 9.50983 9.31626 5.68255 14.0411 9.58354 15.0416 5.05272 9.6479 9.137 15.4561 numMergedOcc 0
19 mol 253 unq 3 iso 0 dist 9.50983 9.77366 5.57952 14.0411 9.58354 14.9336 5.05272 9.6479 8.0127 15.4561 numMergedOcc 0
20 mol 254 unq 0 iso 0 dist 7.00841 5.83039 4.4384 9.65183 8.94909 10.5706 8.16645 11.0121 9.70628 17.2997 numMergedOcc 0
21 mol 254 unq 1 iso 0 dist 7.00841 6.74364 6.09569 9.65183 8.94909 13.1261 8.16645 11.0121 7.98511 17.2997 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 6.77259 4.95415 5.26919 5.18289 9.71152 9.73748 9.62862 12.8347 7.66814 13.6023 numMergedOcc 0
23 mol 284 unq 0 iso 0 dist 4.87349 8.2236 9.94624 5.83318 6.61376 12.6969 15.479 17.8119 8.2474 18.9548 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 8.67838 9.29687 4.30125 9.01459 5.7131 3.93401 16.1645 9.78409 7.89784 7.32101 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 8.67838 9.29687 4.30125 9.01459 5.7131 3.93401 6.27756 9.46421 7.83983 5.737 numMergedOcc 0
