0 mol 28 unq 0 iso 0 dist 9.32784 6.11529 8.24422 12.5727 10.5266 9.05939 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.32784 11.7002 8.99724 12.5727 10.5266 9.38747 numMergedOcc 0
2 mol 96 unq 0 iso 0 dist 9.63062 12.9876 9.579 15.0218 6.42012 7.96523 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 8.87984 12.958 6.62952 9.0584 5.4823 4.3521 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 9.0584 12.958 4.3521 8.87984 5.4823 6.62952 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 8.48071 5.92777 7.14505 6.48198 3.39244 4.7588 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 6.48198 5.92777 4.7588 8.48071 3.39244 7.14505 numMergedOcc 0
7 mol 99 unq 0 iso 0 dist 8.6659 6.39308 9.39801 8.4731 4.8794 6.02154 numMergedOcc 0
8 mol 99 unq 1 iso 0 dist 8.6659 6.04335 4.82346 8.4731 4.8794 8.07233 numMergedOcc 0
9 mol 99 unq 2 iso 0 dist 8.4731 6.39308 6.02154 8.6659 4.8794 9.39801 numMergedOcc 0
10 mol 99 unq 3 iso 0 dist 8.4731 6.04335 8.07233 8.6659 4.8794 4.82346 numMergedOcc 0
11 mol 151 unq 0 iso 0 dist 8.70668 8.25671 5.89468 16.4707 8.30648 9.79321 numMergedOcc 0
12 mol 172 unq 0 iso 0 dist 9.40213 11.0444 5.28889 14.3135 5.65773 7.44084 numMergedOcc 0
13 mol 172 unq 1 iso 0 dist 9.40213 9.70426 4.90175 14.3135 5.65773 7.77643 numMergedOcc 0
14 mol 172 unq 2 iso 0 dist 8.75042 7.0455 5.28889 13.5177 5.65773 7.44084 numMergedOcc 0
15 mol 172 unq 3 iso 0 dist 8.75042 12.33 4.90175 13.5177 5.65773 7.77643 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 5.15834 6.2739 8.44321 11.2509 10.6362 8.32987 numMergedOcc 0
17 mol 193 unq 0 iso 0 dist 7.13192 3.79373 7.71716 10.7628 13.1729 8.71993 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 9.26044 5.22517 8.92121 13.3063 7.19561 9.95252 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 8.01428 14.4188 9.30394 13.925 6.60063 5.84467 numMergedOcc 0
20 mol 287 unq 1 iso 0 dist 8.01428 10.5276 8.5458 13.925 6.60063 8.56533 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 8.01428 14.4188 9.30394 13.925 6.60063 5.84467 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 8.01428 10.5276 8.5458 13.925 6.60063 8.56533 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 8.01428 14.4188 9.30394 13.925 6.60063 5.84467 numMergedOcc 0
24 mol 289 unq 1 iso 0 dist 8.01428 10.5276 8.5458 13.925 6.60063 8.56533 numMergedOcc 0
