0 mol 17 unq 0 iso 0 dist 8.44037 9.13617 6.64199 5.41678 5.22923 8.58468 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 8.44037 4.88828 8.90155 5.41678 5.22923 7.95007 numMergedOcc 0
2 mol 42 unq 0 iso 0 dist 7.73997 5.6382 9.39402 9.19217 4.12203 9.50049 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.80453 15.0045 7.90416 8.9175 3.42062 7.99735 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 9.80453 15.0045 7.90416 18.1879 12.971 9.7516 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 5.23167 4.29159 7.01397 6.75432 3.70802 6.30202 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 7.47607 7.59441 7.01397 10.0797 3.70802 6.30202 numMergedOcc 0
7 mol 71 unq 0 iso 0 dist 6.5009 4.49345 9.69397 7.56624 6.01777 7.92957 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.26805 4.77004 9.50939 12.3463 14.0039 7.63813 numMergedOcc 0
9 mol 81 unq 0 iso 0 dist 7.94697 4.76773 8.57764 6.80165 5.53904 8.78612 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 7.61514 9.04544 8.67342 6.24764 3.81285 9.37034 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 7.61514 4.11312 5.73739 6.24764 3.81285 6.60091 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 8.21116 9.04544 8.60062 6.24764 6.17121 9.37034 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 8.21116 4.11312 5.16225 6.24764 6.17121 6.60091 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 7.30934 9.63545 7.01987 9.25793 3.79142 9.69413 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 9.48604 17.4759 9.58166 19.6208 10.1353 7.78572 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 9.3776 4.91732 8.52131 9.44435 5.0146 9.07154 numMergedOcc 0
17 mol 171 unq 0 iso 0 dist 6.80203 6.94063 8.82481 11.9989 6.97922 9.23587 numMergedOcc 0
18 mol 171 unq 1 iso 0 dist 8.00826 4.53761 8.82481 9.21132 6.97922 9.23587 numMergedOcc 0
19 mol 176 unq 0 iso 0 dist 6.32254 13.0176 9.60931 9.50494 3.84631 7.36833 numMergedOcc 0
20 mol 176 unq 1 iso 0 dist 8.89556 14.8578 9.60931 11.1439 3.84631 7.36833 numMergedOcc 0
21 mol 176 unq 2 iso 0 dist 9.1617 12.7186 9.1728 12.0838 7.39809 9.05572 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 6.9943 4.80695 9.90506 9.81029 9.23405 8.65743 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 6.9943 4.47412 9.03341 9.81029 9.23405 8.02607 numMergedOcc 0
24 mol 266 unq 2 iso 0 dist 7.36685 4.80695 8.61077 9.81029 11.313 8.65743 numMergedOcc 0
25 mol 266 unq 3 iso 0 dist 9.20906 13.6949 9.11585 20.4649 13.005 8.65743 numMergedOcc 0
26 mol 266 unq 4 iso 0 dist 9.03099 4.80695 9.11585 9.81029 13.005 8.65743 numMergedOcc 0
27 mol 281 unq 0 iso 0 dist 8.78416 13.3861 9.39268 9.79394 3.86368 7.90993 numMergedOcc 0
28 mol 281 unq 1 iso 0 dist 7.82358 3.90611 9.39268 6.52115 3.86368 7.90993 numMergedOcc 0
