0 mol 25 unq 0 iso 0 dist 6.6492 7.45383 11.7817 9.01548 9.12941 12.6805 4.70708 8.5404 10.7875 6.63839 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 6.6492 9.01548 9.12941 7.45383 11.7817 12.6805 4.70708 8.5404 6.63839 10.7875 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 8.56342 6.52773 6.96805 9.23858 13.3975 12.3703 10.0197 9.87025 11.1099 18.7646 numMergedOcc 0
3 mol 119 unq 0 iso 1 dist 8.56342 9.23858 13.3975 6.52773 6.96805 12.3703 10.0197 9.87025 18.7646 11.1099 numMergedOcc 0
4 mol 119 unq 1 iso 0 dist 8.56342 6.52773 6.96805 9.23858 13.3975 12.3703 10.6679 5.85818 11.8717 15.8603 numMergedOcc 0
5 mol 119 unq 1 iso 1 dist 8.56342 9.23858 13.3975 6.52773 6.96805 12.3703 10.6679 5.85818 15.8603 11.8717 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 9.25558 11.2516 14.5627 7.00551 9.39683 10.9721 14.9787 numMergedOcc 0
7 mol 131 unq 0 iso 1 dist 9.29384 9.25558 11.2516 8.70296 10.8127 14.5627 7.00551 9.39683 14.9787 10.9721 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 8.41611 7.78652 15.0801 8.91301 15.0315 4.30566 5.44503 6.40901 13.204 13.8861 numMergedOcc 0
9 mol 143 unq 0 iso 1 dist 8.41611 8.91301 15.0315 7.78652 15.0801 4.30566 5.44503 6.40901 13.8861 13.204 numMergedOcc 0
10 mol 143 unq 1 iso 0 dist 7.63338 7.78652 11.5146 8.91301 13.434 4.30566 6.01455 8.1582 6.46089 10.1154 numMergedOcc 0
11 mol 143 unq 1 iso 1 dist 7.63338 8.91301 13.434 7.78652 11.5146 4.30566 6.01455 8.1582 10.1154 6.46089 numMergedOcc 0
12 mol 143 unq 2 iso 0 dist 7.63338 7.78652 11.5146 8.91301 13.434 4.30566 5.44503 9.40626 13.204 13.8861 numMergedOcc 0
13 mol 143 unq 2 iso 1 dist 7.63338 8.91301 13.434 7.78652 11.5146 4.30566 5.44503 9.40626 13.8861 13.204 numMergedOcc 0
14 mol 143 unq 3 iso 0 dist 7.25673 7.78652 6.60479 8.91301 7.54337 4.30566 6.01455 7.88655 6.46089 10.1154 numMergedOcc 0
15 mol 143 unq 3 iso 1 dist 7.25673 8.91301 7.54337 7.78652 6.60479 4.30566 6.01455 7.88655 10.1154 6.46089 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 9.74542 9.91993 7.23332 6.22055 7.89336 4.32771 10.2478 8.12589 8.73468 9.73927 numMergedOcc 0
17 mol 148 unq 0 iso 1 dist 9.74542 6.22055 7.89336 9.91993 7.23332 4.32771 10.2478 8.12589 9.73927 8.73468 numMergedOcc 0
18 mol 150 unq 0 iso 0 dist 9.6606 9.96691 7.35366 6.14675 7.86976 4.39943 10.2318 8.11592 8.73558 9.66129 numMergedOcc 0
19 mol 150 unq 0 iso 1 dist 9.6606 6.14675 7.86976 9.96691 7.35366 4.39943 10.2318 8.11592 9.66129 8.73558 numMergedOcc 0
20 mol 150 unq 1 iso 0 dist 9.6606 9.96691 7.35366 9.24244 11.8012 5.93611 10.2318 8.11592 8.73558 12.6576 numMergedOcc 0
21 mol 150 unq 1 iso 1 dist 9.6606 9.24244 11.8012 9.96691 7.35366 5.93611 10.2318 8.11592 12.6576 8.73558 numMergedOcc 0
22 mol 150 unq 1 iso 0 dist 9.6606 6.14675 7.86976 9.24244 11.8012 4.30207 10.2318 8.11592 9.66129 12.6576 numMergedOcc 0
23 mol 150 unq 1 iso 1 dist 9.6606 9.24244 11.8012 6.14675 7.86976 4.30207 10.2318 8.11592 12.6576 9.66129 numMergedOcc 0
24 mol 156 unq 0 iso 0 dist 7.73169 7.30357 8.40261 8.61587 12.8796 6.12113 5.07967 7.04913 7.30946 11.3161 numMergedOcc 0
25 mol 156 unq 0 iso 1 dist 7.73169 8.61587 12.8796 7.30357 8.40261 6.12113 5.07967 7.04913 11.3161 7.30946 numMergedOcc 0
26 mol 159 unq 0 iso 0 dist 7.25742 9.17787 10.3427 8.4858 7.97232 7.73341 4.57561 7.13269 10.4588 5.9032 numMergedOcc 0
27 mol 159 unq 0 iso 1 dist 7.25742 8.4858 7.97232 9.17787 10.3427 7.73341 4.57561 7.13269 5.9032 10.4588 numMergedOcc 0
28 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 8.1344 5.90358 3.98338 8.08908 5.73148 10.4506 10.7861 numMergedOcc 0
29 mol 171 unq 0 iso 1 dist 7.71426 8.1344 5.90358 5.93786 6.29877 3.98338 8.08908 5.73148 10.7861 10.4506 numMergedOcc 0
30 mol 171 unq 1 iso 0 dist 5.10618 8.24693 6.29877 6.71356 5.90358 3.98338 6.05805 5.73148 10.4506 10.7861 numMergedOcc 0
31 mol 171 unq 1 iso 1 dist 5.10618 6.71356 5.90358 8.24693 6.29877 3.98338 6.05805 5.73148 10.7861 10.4506 numMergedOcc 0
32 mol 188 unq 0 iso 0 dist 8.57261 7.14503 5.0782 8.10214 5.87427 9.01338 12.0548 7.48284 11.4648 9.33696 numMergedOcc 0
33 mol 188 unq 0 iso 1 dist 8.57261 8.10214 5.87427 7.14503 5.0782 9.01338 12.0548 7.48284 9.33696 11.4648 numMergedOcc 0
34 mol 194 unq 0 iso 0 dist 8.83356 8.29382 12.361 6.72379 7.50057 6.7294 5.38925 9.77862 13.132 9.3402 numMergedOcc 0
35 mol 194 unq 0 iso 1 dist 8.83356 6.72379 7.50057 8.29382 12.361 6.7294 5.38925 9.77862 9.3402 13.132 numMergedOcc 0
36 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 6.95086 6.74112 9.90317 13.6975 9.79691 14.0228 15.1755 numMergedOcc 0
37 mol 195 unq 0 iso 1 dist 6.60567 6.95086 6.74112 7.36683 6.0634 9.90317 13.6975 9.79691 15.1755 14.0228 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 8.03442 7.43071 12.8075 5.41321 4.59123 11.362 6.43754 7.1372 12.2922 7.57454 numMergedOcc 0
39 mol 227 unq 0 iso 1 dist 8.03442 5.41321 4.59123 7.43071 12.8075 11.362 6.43754 7.1372 7.57454 12.2922 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 6.66971 7.57812 4.77308 8.69104 10.2777 6.25098 13.0842 9.42618 6.87131 9.69818 numMergedOcc 0
41 mol 238 unq 0 iso 1 dist 6.66971 8.69104 10.2777 7.57812 4.77308 6.25098 13.0842 9.42618 9.69818 6.87131 numMergedOcc 0
