0 mol 26 unq 0 iso 0 dist 9.44507 6.77783 5.497 17.3627 8.35396 13.1887 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 4.38047 8.98505 6.30987 6.22229 6.32568 10.6854 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 7.69638 4.07863 9.43355 6.8954 9.57333 10.9396 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.16592 7.62048 7.09065 10.8563 9.18792 4.07616 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 8.27794 8.32999 9.83981 3.46142 5.32751 9.35355 numMergedOcc 0
5 mol 114 unq 1 iso 0 dist 8.27794 5.28095 6.13559 3.46142 5.32751 5.27716 numMergedOcc 0
6 mol 114 unq 2 iso 0 dist 8.27794 11.5542 6.51395 3.46142 5.32751 9.60224 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 7.6005 8.76048 7.35992 3.73463 9.28045 7.09209 numMergedOcc 0
8 mol 116 unq 1 iso 0 dist 7.6005 5.79458 6.49383 3.73463 9.28045 5.82334 numMergedOcc 0
9 mol 116 unq 2 iso 0 dist 8.7583 11.4263 7.35992 7.38318 9.28045 7.09209 numMergedOcc 0
10 mol 116 unq 3 iso 0 dist 8.7583 9.91115 6.49383 7.38318 9.28045 5.82334 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 8.30496 4.06022 8.75562 6.3489 6.12485 4.01524 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 6.78469 4.06022 8.00449 6.3489 6.0262 4.01524 numMergedOcc 0
13 mol 141 unq 2 iso 0 dist 8.01453 6.47962 8.00449 4.49133 6.0262 4.01524 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 9.80819 11.6995 9.73927 3.78181 7.34023 12.0468 numMergedOcc 0
15 mol 150 unq 0 iso 0 dist 9.81665 11.8035 9.66129 3.72958 7.35268 12.1191 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 9.14629 4.0737 7.80054 5.39511 9.32545 7.23043 numMergedOcc 0
17 mol 257 unq 0 iso 0 dist 9.34004 7.73649 8.60481 5.72147 8.48733 7.26726 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 6.60049 7.69175 5.7131 7.0232 8.55781 11.5374 numMergedOcc 0
