0 mol 7 unq 0 iso 0 dist 9.20552 10.4548 5.99459 8.16305 7.78327 7.00508 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 9.43143 12.6194 7.12321 10.2533 4.86198 4.38233 numMergedOcc 0
2 mol 122 unq 0 iso 0 dist 8.47907 12.3287 6.00603 12.1473 4.42563 3.17342 numMergedOcc 0
3 mol 143 unq 0 iso 0 dist 7.73769 4.33589 5.37047 11.099 8.64905 10.4448 numMergedOcc 0
4 mol 178 unq 0 iso 0 dist 8.04723 12.8554 9.11204 12.3914 4.72821 9.56928 numMergedOcc 0
5 mol 181 unq 0 iso 0 dist 6.09874 5.43915 8.59874 14.1844 9.70481 18.0236 numMergedOcc 0
6 mol 195 unq 0 iso 0 dist 7.39185 4.31898 7.41662 4.22848 6.59544 5.60873 numMergedOcc 0
7 mol 195 unq 1 iso 0 dist 4.78641 8.15463 7.41662 4.65343 6.59544 5.60873 numMergedOcc 0
8 mol 197 unq 0 iso 0 dist 6.18446 9.66766 9.10817 9.33865 9.23086 17.435 numMergedOcc 0
9 mol 197 unq 1 iso 0 dist 6.18446 7.69814 9.73548 9.33865 9.23086 4.91041 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 8.57514 12.7286 6.49765 13.7017 9.31158 6.49396 numMergedOcc 0
11 mol 205 unq 1 iso 0 dist 6.11505 12.0822 6.49765 13.9601 9.31158 6.49396 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 9.73691 5.23399 8.22569 6.56215 9.09354 10.3403 numMergedOcc 0
13 mol 213 unq 1 iso 0 dist 9.73691 5.23399 8.22569 9.18934 4.66576 5.45331 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 9.79816 15.4347 7.33709 5.27483 7.84952 13.5381 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 7.57253 8.96601 6.71524 11.393 8.25985 3.43286 numMergedOcc 0
16 mol 232 unq 1 iso 0 dist 7.57253 8.96601 6.71524 7.05941 9.27788 5.45761 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 8.53324 10.3171 5.46926 9.7252 7.42932 5.9732 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 8.53324 10.6814 5.13913 9.7252 7.42932 3.79766 numMergedOcc 0
19 mol 277 unq 2 iso 0 dist 7.23956 8.60807 9.35539 9.7252 4.9764 13.2853 numMergedOcc 0
20 mol 277 unq 3 iso 0 dist 7.23956 8.60807 9.35539 10.5201 6.36559 12.4985 numMergedOcc 0
21 mol 277 unq 4 iso 0 dist 7.23956 10.3171 8.9682 9.7252 4.9764 5.9732 numMergedOcc 0
22 mol 277 unq 5 iso 0 dist 7.23956 10.3171 8.9682 10.5201 6.36559 8.61922 numMergedOcc 0
23 mol 277 unq 6 iso 0 dist 7.23956 10.6814 6.92711 9.7252 4.9764 3.79766 numMergedOcc 0
24 mol 277 unq 7 iso 0 dist 7.23956 10.6814 6.92711 10.5201 6.36559 7.07613 numMergedOcc 0
25 mol 277 unq 8 iso 0 dist 8.66941 5.04761 5.46926 10.3675 7.42932 5.9732 numMergedOcc 0
26 mol 277 unq 9 iso 0 dist 8.66941 8.42957 5.13913 10.3675 7.42932 3.79766 numMergedOcc 0
27 mol 285 unq 0 iso 0 dist 9.82717 13.1909 7.80862 13.5711 6.71946 10.2856 numMergedOcc 0
28 mol 285 unq 1 iso 0 dist 9.82717 13.1909 7.80862 17.9142 8.28061 8.89122 numMergedOcc 0
29 mol 285 unq 2 iso 0 dist 9.82717 13.1909 7.80862 13.8352 5.03601 4.98469 numMergedOcc 0
30 mol 285 unq 3 iso 0 dist 8.33653 12.4844 7.80862 7.76515 6.71946 10.2856 numMergedOcc 0
31 mol 285 unq 4 iso 0 dist 8.33653 12.4844 7.80862 5.12725 8.28061 8.89122 numMergedOcc 0
32 mol 285 unq 5 iso 0 dist 8.33653 12.4844 7.80862 7.52611 5.03601 4.98469 numMergedOcc 0
33 mol 285 unq 6 iso 0 dist 6.44657 7.67857 7.80862 11.6832 6.71946 10.2856 numMergedOcc 0
34 mol 285 unq 7 iso 0 dist 6.44657 7.67857 7.80862 6.73715 8.28061 8.89122 numMergedOcc 0
35 mol 285 unq 8 iso 0 dist 6.44657 7.67857 7.80862 5.32175 5.03601 4.98469 numMergedOcc 0
