0 mol 17 unq 0 iso 0 dist 9.84612 5.57445 9.78918 11.1103 7.25951 10.8117 numMergedOcc 0
1 mol 65 unq 0 iso 0 dist 8.70783 12.8097 8.54555 5.43428 5.94206 10.8649 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 7.54919 5.88414 7.74901 11.0544 6.78004 11.6569 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 9.12912 7.71787 7.74901 9.66523 6.78004 11.6569 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 8.6701 12.4843 7.13064 7.57027 8.74378 8.41572 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 6.85457 12.4843 7.8962 7.57027 8.89417 8.41572 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 6.85457 12.4843 7.8962 13.1982 9.95255 5.74733 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 5.38064 4.21773 6.56978 10.5343 9.5057 12.6896 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 5.38064 4.21773 6.56978 5.88248 5.75014 9.19586 numMergedOcc 0
9 mol 102 unq 0 iso 0 dist 8.48638 12.0088 9.2062 4.26679 8.88394 13.32 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 7.27601 6.20949 4.86767 4.95654 8.42878 6.72133 numMergedOcc 0
11 mol 192 unq 0 iso 0 dist 5.64003 7.33309 7.37823 6.03369 8.26288 8.7874 numMergedOcc 0
12 mol 194 unq 0 iso 0 dist 7.27978 11.9253 5.4455 11.9617 6.1886 4.44921 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 9.22885 17.8478 9.33514 6.39762 9.73541 15.6069 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 8.70651 15.6085 8.27761 14.8728 9.78181 8.33098 numMergedOcc 0
15 mol 232 unq 1 iso 0 dist 8.70651 15.6085 8.27761 4.03628 9.8664 17.7633 numMergedOcc 0
16 mol 280 unq 0 iso 0 dist 9.44925 16.5309 7.42529 11.4465 6.73712 7.98547 numMergedOcc 0
17 mol 280 unq 1 iso 0 dist 9.44925 16.5309 7.42529 5.31758 9.35704 15.5627 numMergedOcc 0
18 mol 280 unq 2 iso 0 dist 9.44925 9.0925 9.38952 11.4465 6.73712 5.87081 numMergedOcc 0
19 mol 280 unq 3 iso 0 dist 9.44925 9.0925 9.38952 5.31758 9.35704 10.1012 numMergedOcc 0
20 mol 284 unq 0 iso 0 dist 9.95662 10.1082 4.87349 6.4111 7.34931 6.50962 numMergedOcc 0
