0 mol 11 unq 0 iso 0 dist 6.54358 6.86684 6.859 13.8584 9.74251 7.98326 12.7882 12.4305 8.17605 9.09091 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 8.85174 10.1154 6.23015 6.42748 5.20798 6.03257 6.67334 9.51568 6.19131 6.50647 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 6.55597 5.77929 9.16515 9.01548 13.4321 8.88938 4.70708 11.1095 6.06874 6.63839 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 7.07751 5.77929 9.82987 9.01548 9.66912 8.88938 4.70708 10.1706 6.06874 6.63839 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 9.48085 6.08585 6.53269 13.8469 5.38592 8.88938 12.1492 8.53931 6.06874 6.63839 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 9.49421 5.77929 6.53269 9.01548 5.38592 8.88938 4.70708 8.53931 6.06874 6.63839 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 9.12845 6.04762 6.81793 10.3756 4.76998 6.56527 14.1424 9.06516 11.553 5.497 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 9.17838 8.82805 6.07052 13.1848 9.12073 8.19993 7.46968 9.4708 8.24402 7.281 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 9.76379 6.79583 7.43127 14.2829 9.51372 9.78384 5.59971 6.52939 6.49291 9.63599 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 9.76379 6.79583 7.43127 14.2829 9.51372 9.78384 10.8252 11.9367 6.4154 8.01743 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 7.13008 7.05542 8.98912 10.2298 11.9597 9.60622 13.1845 12.4262 8.71385 6.95465 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 7.13008 10.9681 8.93769 10.2298 11.9597 9.91054 13.1845 12.4262 5.54732 6.95465 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.10496 7.94178 9.84703 6.7117 3.94967 7.36769 8.70415 6.61111 10.2677 6.0129 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 5.10496 4.4057 4.62494 6.7117 3.94967 6.88901 8.70415 6.61111 5.71029 6.0129 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 9.64383 18.5442 9.25444 12.5931 3.92737 7.36769 12.0058 4.44979 10.2677 6.0129 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 9.64383 16.4267 8.46823 12.5931 3.92737 6.88901 12.0058 4.44979 5.71029 6.0129 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 5.92242 15.7178 9.84703 9.42961 3.94967 7.36769 9.74284 6.61111 10.2677 6.0129 numMergedOcc 0
17 mol 98 unq 5 iso 0 dist 5.92242 7.42446 4.62494 9.42961 3.94967 6.88901 9.74284 6.61111 5.71029 6.0129 numMergedOcc 0
18 mol 98 unq 6 iso 0 dist 7.54889 9.85543 9.25444 4.47349 3.92737 7.36769 10.0962 4.44979 10.2677 6.0129 numMergedOcc 0
19 mol 98 unq 7 iso 0 dist 7.54889 9.67482 8.46823 4.47349 3.92737 6.88901 10.0962 4.44979 5.71029 6.0129 numMergedOcc 0
20 mol 98 unq 8 iso 0 dist 5.2571 9.85543 9.84703 4.47349 3.94967 7.36769 10.0962 6.61111 10.2677 6.0129 numMergedOcc 0
21 mol 98 unq 9 iso 0 dist 5.2571 9.67482 4.62494 4.47349 3.94967 6.88901 10.0962 6.61111 5.71029 6.0129 numMergedOcc 0
22 mol 98 unq 10 iso 0 dist 7.78931 7.28361 9.25444 5.65185 3.92737 7.36769 11.2452 4.44979 10.2677 6.0129 numMergedOcc 0
23 mol 98 unq 11 iso 0 dist 7.78931 12.0974 8.46823 5.65185 3.92737 6.88901 11.2452 4.44979 5.71029 6.0129 numMergedOcc 0
24 mol 98 unq 12 iso 0 dist 8.7497 7.28361 9.84703 5.65185 3.94967 7.36769 11.2452 6.61111 10.2677 6.0129 numMergedOcc 0
25 mol 98 unq 13 iso 0 dist 8.7497 12.0974 4.62494 5.65185 3.94967 6.88901 11.2452 6.61111 5.71029 6.0129 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 8.77023 4.54648 8.83732 10.9581 6.24625 8.95662 9.53782 8.55349 11.5342 9.50664 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 9.76212 4.43096 7.35884 6.2479 6.39406 7.32087 6.25083 14.5897 10.6325 9.06217 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 9.76212 4.43096 7.35884 6.2479 6.39406 7.32087 4.77278 12.3788 8.45963 7.13252 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 8.59874 6.06566 7.35884 6.22122 6.39406 7.32087 10.5753 14.5897 10.6325 9.06217 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 8.59874 6.06566 7.35884 6.22122 6.39406 7.32087 5.88819 12.3788 8.45963 7.13252 numMergedOcc 0
31 mol 232 unq 0 iso 0 dist 6.71524 4.9377 9.9183 13.7227 14.876 9.78181 14.5897 15.7309 10.9886 7.10413 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 6.4611 6.70925 8.60027 10.5387 5.39432 9.16942 5.31116 6.66172 4.60275 9.20749 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 9.57499 6.28695 9.26157 10.5329 16.0346 8.20644 9.92201 15.7984 6.56697 6.43034 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 5.46926 4.37645 9.26157 12.1618 16.0346 8.20644 10.7534 15.7984 6.56697 6.43034 numMergedOcc 0
35 mol 277 unq 2 iso 0 dist 8.9682 7.70529 9.26157 10.8214 16.0346 8.20644 12.6113 15.7984 6.56697 6.43034 numMergedOcc 0
