0 mol 48 unq 0 iso 0 dist 8.05728 4.91237 5.35252 11.3291 7.99434 6.44604 12.5605 5.76698 8.8645 7.78689 numMergedOcc 0
1 mol 63 unq 0 iso 0 dist 9.1662 3.86843 6.49343 14.4144 7.85738 12.6017 11.9209 3.97936 9.06612 10.3553 numMergedOcc 0
2 mol 63 unq 1 iso 0 dist 9.1662 3.86843 6.49343 14.4144 7.85738 12.6017 8.28839 10.507 6.04797 17.5417 numMergedOcc 0
3 mol 63 unq 2 iso 0 dist 9.1662 3.86843 6.49343 14.4144 7.85738 12.6017 7.07396 15.191 8.88058 21.0983 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 8.01516 15.8477 8.64686 12.5904 6.65972 4.13187 14.7341 7.18389 7.82966 8.75375 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 8.01516 15.8477 8.64686 12.5904 6.65972 4.13187 18.2418 11.5374 8.26763 9.04293 numMergedOcc 0
6 mol 79 unq 2 iso 0 dist 8.01516 15.8477 8.64686 12.5904 6.65972 4.13187 11.9711 5.21981 6.30814 4.78333 numMergedOcc 0
7 mol 79 unq 3 iso 0 dist 8.01516 15.8477 8.64686 12.5904 6.65972 4.13187 15.1586 8.12985 7.318 9.18411 numMergedOcc 0
8 mol 79 unq 4 iso 0 dist 8.01516 15.8477 8.64686 7.80434 4.2253 9.13196 14.7341 7.18389 7.82966 9.14743 numMergedOcc 0
9 mol 79 unq 5 iso 0 dist 8.01516 15.8477 8.64686 7.80434 4.2253 9.13196 18.2418 11.5374 8.26763 10.8282 numMergedOcc 0
10 mol 79 unq 6 iso 0 dist 8.01516 15.8477 8.64686 7.80434 4.2253 9.13196 11.9711 5.21981 6.30814 4.74254 numMergedOcc 0
11 mol 79 unq 7 iso 0 dist 8.01516 15.8477 8.64686 7.80434 4.2253 9.13196 15.1586 8.12985 7.318 11.446 numMergedOcc 0
12 mol 127 unq 0 iso 0 dist 5.52891 6.87376 5.83719 4.58529 9.64136 11.1718 11.9437 7.4454 9.35701 16.2108 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 8.86627 8.61606 7.36571 9.70184 5.03588 3.9335 10.8599 7.56199 7.75405 8.7652 numMergedOcc 0
14 mol 192 unq 1 iso 0 dist 8.86627 4.97164 9.17137 9.70184 5.03588 10.6087 10.8599 7.56199 7.49971 8.7652 numMergedOcc 0
15 mol 192 unq 2 iso 0 dist 8.86627 4.97164 9.17137 9.70184 5.03588 10.6087 11.9648 9.186 9.07427 13.4673 numMergedOcc 0
16 mol 192 unq 3 iso 0 dist 9.10569 5.41356 7.36571 8.12818 5.03588 3.9335 8.8637 7.56199 7.75405 8.7652 numMergedOcc 0
17 mol 192 unq 4 iso 0 dist 9.10569 4.87986 9.17137 8.12818 5.03588 10.6087 8.8637 7.56199 7.49971 8.7652 numMergedOcc 0
18 mol 192 unq 5 iso 0 dist 9.10569 4.87986 9.17137 8.12818 5.03588 10.6087 12.9151 9.186 9.07427 13.4673 numMergedOcc 0
19 mol 244 unq 0 iso 0 dist 9.53211 4.30655 7.79787 3.29359 9.3491 6.88123 12.6669 8.65358 8.93589 14.4958 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 6.70414 12.5633 8.15119 7.31817 4.1545 9.21484 11.7453 6.65084 6.42951 5.13533 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 6.70414 12.5633 8.15119 3.91224 4.25172 10.3506 11.7453 6.65084 6.42951 8.0969 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 9.56601 12.0471 8.03486 10.5503 9.98182 5.04826 10.632 4.91802 8.34313 11.6824 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 6.76192 4.03583 7.14859 11.7613 9.31611 8.95194 10.5491 13.8618 8.43856 15.192 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 6.76192 4.03583 7.14859 11.7613 9.31611 8.95194 10.5491 13.8618 8.43856 15.192 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 6.76192 4.03583 7.14859 11.7613 9.31611 8.95194 10.5491 13.8618 8.43856 15.192 numMergedOcc 0
