0 mol 11 unq 0 iso 0 dist 9.09091 8.17605 7.98326 12.4305 9.74251 6.859 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 6.50647 6.19131 6.03257 9.51568 5.20798 6.23015 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 5.82366 11.4087 9.95212 14.7321 9.79414 8.54034 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 6.63839 6.06874 8.88938 11.1095 13.4321 9.16515 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 6.63839 6.06874 8.88938 10.1706 9.66912 9.82987 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 6.63839 6.06874 8.88938 10.6614 5.86134 9.40732 numMergedOcc 0
6 mol 25 unq 3 iso 0 dist 6.63839 6.06874 8.88938 8.53931 5.38592 6.53269 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 7.22361 7.52321 7.35861 13.1993 6.64374 9.96912 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 6.15893 7.26595 7.35861 6.79475 6.64374 9.96912 numMergedOcc 0
9 mol 26 unq 2 iso 0 dist 5.497 11.553 6.56527 9.06516 4.76998 6.81793 numMergedOcc 0
10 mol 48 unq 0 iso 0 dist 7.34031 8.13678 8.29857 9.42263 9.02536 6.03404 numMergedOcc 0
11 mol 48 unq 1 iso 0 dist 7.281 8.24402 8.19993 9.4708 9.12073 6.07052 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 9.63599 6.49291 9.78384 6.52939 9.51372 7.43127 numMergedOcc 0
13 mol 79 unq 1 iso 0 dist 9.63599 11.51 8.87742 14.3253 6.06691 8.02443 numMergedOcc 0
14 mol 79 unq 2 iso 0 dist 9.63599 7.82761 4.93468 14.3253 6.06691 9.09458 numMergedOcc 0
15 mol 79 unq 3 iso 0 dist 7.87237 4.52595 4.93468 13.4344 6.69352 9.77084 numMergedOcc 0
16 mol 79 unq 4 iso 0 dist 7.87237 4.52595 4.93468 8.71844 6.0749 6.5551 numMergedOcc 0
17 mol 79 unq 5 iso 0 dist 8.01743 6.4154 9.78384 11.9367 9.51372 7.43127 numMergedOcc 0
18 mol 79 unq 6 iso 0 dist 8.01743 11.4135 8.87742 12.9343 6.06691 8.02443 numMergedOcc 0
19 mol 79 unq 7 iso 0 dist 8.01743 4.58851 4.93468 12.9343 6.06691 9.09458 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 6.95465 8.71385 9.60622 12.4262 11.9597 8.98912 numMergedOcc 0
21 mol 92 unq 1 iso 0 dist 6.95465 5.54732 9.91054 12.4262 11.9597 8.93769 numMergedOcc 0
22 mol 98 unq 0 iso 0 dist 6.0129 10.2677 7.36769 4.44979 3.92737 9.25444 numMergedOcc 0
23 mol 98 unq 1 iso 0 dist 6.0129 10.2677 7.36769 6.61111 3.94967 9.84703 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 6.0129 5.71029 6.88901 4.44979 3.92737 8.46823 numMergedOcc 0
25 mol 98 unq 3 iso 0 dist 6.0129 5.71029 6.88901 6.61111 3.94967 4.62494 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 9.50664 11.5342 8.95662 8.55349 6.24625 8.83732 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 9.06217 10.6325 7.32087 13.5513 5.3698 9.06571 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 9.06217 10.6325 7.32087 14.5897 6.39406 7.35884 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 9.06217 8.15174 8.86197 13.5513 5.3698 9.88897 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 7.13252 8.45963 7.32087 12.3338 5.3698 9.06571 numMergedOcc 0
31 mol 181 unq 4 iso 0 dist 7.13252 8.45963 7.32087 12.3788 6.39406 7.35884 numMergedOcc 0
32 mol 181 unq 5 iso 0 dist 7.13252 11.047 8.86197 12.3338 5.3698 9.88897 numMergedOcc 0
33 mol 192 unq 0 iso 0 dist 7.33225 8.38671 6.60053 11.9739 5.80651 9.40971 numMergedOcc 0
34 mol 192 unq 1 iso 0 dist 7.33225 11.0721 9.36796 11.9739 5.80651 9.8428 numMergedOcc 0
35 mol 194 unq 0 iso 0 dist 8.52969 4.26755 6.38324 7.10155 7.41775 9.00322 numMergedOcc 0
36 mol 194 unq 1 iso 0 dist 8.52969 11.8663 6.1886 11.4718 4.002 4.19371 numMergedOcc 0
37 mol 194 unq 2 iso 0 dist 8.52969 11.8663 6.1886 15.3623 7.09553 9.71015 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 7.17337 16.1253 9.8664 11.4566 4.68548 6.59036 numMergedOcc 0
39 mol 232 unq 1 iso 0 dist 7.10413 10.9886 9.78181 15.7309 14.876 9.9183 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 6.54825 7.96337 6.94789 12.9537 14.2323 7.39085 numMergedOcc 0
41 mol 256 unq 0 iso 0 dist 9.18903 13.9633 6.00636 18.5754 9.39697 6.85663 numMergedOcc 0
42 mol 274 unq 0 iso 0 dist 9.20749 4.60275 9.16942 6.66172 5.39432 8.60027 numMergedOcc 0
43 mol 277 unq 0 iso 0 dist 6.43034 6.56697 8.20644 15.7984 16.0346 9.26157 numMergedOcc 0
