0 mol 43 unq 0 iso 0 dist 9.15042 5.82017 6.6657 10.9303 9.18371 5.23796 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 7.51978 6.11985 6.13476 13.323 6.59893 12.423 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 7.51978 6.11985 6.13476 10.6593 5.59773 9.45804 numMergedOcc 0
3 mol 89 unq 0 iso 0 dist 8.25651 4.80369 5.25504 7.94744 6.36021 6.28243 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 6.9538 6.24587 9.35212 9.5165 7.38759 6.2537 numMergedOcc 0
5 mol 110 unq 0 iso 0 dist 6.59361 7.35494 8.1306 6.82715 5.25492 9.6516 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 5.09114 11.2576 8.054 12.2043 8.33083 5.27855 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 5.63906 5.90884 7.09426 9.72967 7.66381 12.2153 numMergedOcc 0
8 mol 198 unq 0 iso 0 dist 5.80867 7.54337 9.98332 10.1488 6.47339 13.3321 numMergedOcc 0
9 mol 198 unq 1 iso 0 dist 9.4363 17.0845 9.98332 12.8945 6.47339 13.3321 numMergedOcc 0
10 mol 213 unq 0 iso 0 dist 6.82881 7.67515 8.48081 10.3239 4.58599 11.6202 numMergedOcc 0
11 mol 213 unq 1 iso 0 dist 6.82881 7.67515 8.48081 11.0972 8.78568 15.8119 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 7.96424 10.5016 6.93717 14.7144 8.48112 8.26463 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 9.82174 8.0362 8.39522 10.7991 9.75174 11.1968 numMergedOcc 0
14 mol 253 unq 0 iso 0 dist 5.76077 12.8509 9.86979 8.19585 7.7993 11.834 numMergedOcc 0
15 mol 253 unq 1 iso 0 dist 5.76077 12.8509 9.86979 6.8205 6.10761 6.26583 numMergedOcc 0
16 mol 253 unq 2 iso 0 dist 7.0247 11.3218 9.86979 14.4438 7.7993 11.834 numMergedOcc 0
17 mol 253 unq 3 iso 0 dist 7.0247 11.3218 9.86979 10.5134 6.10761 6.26583 numMergedOcc 0
18 mol 265 unq 0 iso 0 dist 5.81421 10.6585 7.83102 6.38433 8.1498 10.5845 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 8.27977 11.9125 7.63115 14.4082 8.13489 7.675 numMergedOcc 0
