0 mol 8 unq 0 iso 0 dist 8.96553 8.33604 8.27181 4.85329 10.2611 6.26865 5.89134 4.41134 5.93269 5.99042 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.57077 8.47421 5.60154 11.4878 6.33889 7.2199 13.8869 9.32349 6.54865 5.80845 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.57077 6.33889 11.4878 4.61049 12.6047 6.9513 11.3398 17.4492 5.97048 9.76103 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 8.57077 6.33889 11.4878 4.61049 12.6047 6.9513 13.1353 21.521 11.9271 9.79343 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 8.57077 6.33889 11.4878 6.64015 14.9473 9.16116 13.1353 21.521 11.9271 8.21283 numMergedOcc 0
5 mol 9 unq 4 iso 0 dist 8.57077 6.33889 11.4878 13.7377 16.8226 8.47109 11.3398 17.4492 5.97048 7.76353 numMergedOcc 0
6 mol 15 unq 0 iso 0 dist 6.82505 9.78051 5.55659 5.51916 7.12903 8.96967 11.9723 12.0584 12.8592 6.52627 numMergedOcc 0
7 mol 15 unq 1 iso 0 dist 6.82505 9.78051 5.55659 5.51916 7.12903 8.96967 8.63502 8.20465 5.3298 9.90484 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 9.96708 7.321 9.0131 7.17489 10.4676 8.59747 13.6124 9.902 10.0612 8.5576 numMergedOcc 0
9 mol 72 unq 1 iso 0 dist 9.78528 7.321 6.11922 7.17489 13.3943 8.59747 13.6124 13.8478 10.0612 8.5576 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 9.36773 8.66514 8.4283 5.90098 9.15979 7.71582 6.066 6.81076 7.39092 9.64465 numMergedOcc 0
11 mol 88 unq 1 iso 0 dist 9.36773 9.25235 5.37521 5.90098 9.15979 6.65776 6.066 6.81076 8.30564 9.64465 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 9.33865 7.76729 10.7942 10.2377 7.64585 6.40036 13.8627 14.2517 6.16016 8.06435 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 5.83991 7.76729 10.9739 10.2377 12.2309 6.40036 13.8627 16.1703 6.16016 8.06435 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 8.14887 8.59981 14.9761 4.77464 11.7714 6.3244 5.72373 10.2773 4.98036 6.11979 numMergedOcc 0
15 mol 127 unq 1 iso 0 dist 9.30299 8.59981 14.085 4.77464 9.81878 6.3244 5.72373 10.7123 4.98036 6.11979 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 7.11802 7.92688 4.68409 11.8989 14.0449 9.94276 9.40521 9.07018 6.14787 8.21182 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 7.11802 7.92688 4.68409 15.0734 13.5624 9.05357 9.40521 9.07018 6.14787 7.5547 numMergedOcc 0
18 mol 133 unq 2 iso 0 dist 7.11802 7.92688 4.68409 9.58627 9.65709 5.99299 9.40521 9.07018 6.14787 9.31771 numMergedOcc 0
19 mol 133 unq 3 iso 0 dist 8.00618 7.92688 12.2037 11.8989 19.3117 9.94276 9.40521 14.1658 6.14787 8.21182 numMergedOcc 0
20 mol 133 unq 4 iso 0 dist 8.00618 7.92688 12.2037 15.0734 20.5979 9.05357 9.40521 14.1658 6.14787 7.5547 numMergedOcc 0
21 mol 133 unq 5 iso 0 dist 8.00618 7.92688 12.2037 9.58627 16.126 5.99299 9.40521 14.1658 6.14787 9.31771 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 9.45496 9.5707 15.9563 5.56749 15.004 8.49841 6.35438 8.83842 10.0213 9.76304 numMergedOcc 0
23 mol 234 unq 1 iso 0 dist 9.45496 9.5707 15.9563 12.1076 17.6567 9.6101 12.2772 14.1757 13.7546 6.92793 numMergedOcc 0
24 mol 234 unq 2 iso 0 dist 9.45496 9.5707 15.9563 12.1076 17.6567 9.6101 6.35438 8.83842 10.0213 8.83027 numMergedOcc 0
25 mol 234 unq 3 iso 0 dist 6.7625 9.5707 14.4106 5.56749 10.8628 8.49841 6.35438 5.43327 10.0213 9.76304 numMergedOcc 0
26 mol 234 unq 4 iso 0 dist 6.7625 9.5707 14.4106 12.1076 12.6312 9.6101 12.2772 9.13477 13.7546 6.92793 numMergedOcc 0
27 mol 234 unq 5 iso 0 dist 6.7625 9.5707 14.4106 12.1076 12.6312 9.6101 6.35438 5.43327 10.0213 8.83027 numMergedOcc 0
28 mol 234 unq 6 iso 0 dist 8.41436 6.16063 11.3297 5.9221 13.651 8.49841 7.27632 10.6728 10.6582 6.55256 numMergedOcc 0
29 mol 234 unq 7 iso 0 dist 8.92474 6.16063 10.2563 5.9221 10.521 8.49841 7.27632 5.3919 10.6582 6.55256 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 7.00034 7.39747 6.26168 7.04058 7.20082 6.34801 11.9599 6.0356 11.3738 9.95624 numMergedOcc 0
