0 mol 64 unq 0 iso 0 dist 8.99491 11.1165 9.10915 13.6507 8.66921 6.90646 numMergedOcc 0
1 mol 64 unq 0 iso 1 dist 8.99491 13.6507 8.66921 11.1165 9.10915 6.90646 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 8.99491 11.1165 9.10915 7.89444 5.54343 7.89535 numMergedOcc 0
3 mol 64 unq 1 iso 1 dist 8.99491 7.89444 5.54343 11.1165 9.10915 7.89535 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 8.99491 13.6507 8.66921 7.89444 5.54343 6.36389 numMergedOcc 0
5 mol 64 unq 1 iso 1 dist 8.99491 7.89444 5.54343 13.6507 8.66921 6.36389 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 8.65898 7.33586 6.99398 13.1954 8.64208 8.8254 numMergedOcc 0
7 mol 67 unq 0 iso 1 dist 8.65898 13.1954 8.64208 7.33586 6.99398 8.8254 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 8.04256 5.00567 6.87176 5.33771 5.57389 7.08944 numMergedOcc 0
9 mol 68 unq 0 iso 1 dist 8.04256 5.33771 5.57389 5.00567 6.87176 7.08944 numMergedOcc 0
10 mol 68 unq 1 iso 0 dist 7.51075 12.5342 6.87176 9.21957 5.57389 7.08944 numMergedOcc 0
11 mol 68 unq 1 iso 1 dist 7.51075 9.21957 5.57389 12.5342 6.87176 7.08944 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 6.4551 4.00834 4.83274 9.6911 7.89214 10.5047 numMergedOcc 0
13 mol 76 unq 0 iso 1 dist 6.4551 9.6911 7.89214 4.00834 4.83274 10.5047 numMergedOcc 0
14 mol 91 unq 0 iso 0 dist 9.3931 5.4965 8.30169 8.87123 8.91983 5.61055 numMergedOcc 0
15 mol 91 unq 0 iso 1 dist 9.3931 8.87123 8.91983 5.4965 8.30169 5.61055 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 9.42513 4.42983 7.73139 9.88569 6.66607 8.63406 numMergedOcc 0
17 mol 127 unq 0 iso 1 dist 9.42513 9.88569 6.66607 4.42983 7.73139 8.63406 numMergedOcc 0
18 mol 127 unq 1 iso 0 dist 9.42513 4.42983 7.73139 5.88232 8.62711 6.87199 numMergedOcc 0
19 mol 127 unq 1 iso 1 dist 9.42513 5.88232 8.62711 4.42983 7.73139 6.87199 numMergedOcc 0
20 mol 127 unq 1 iso 0 dist 9.42513 9.88569 6.66607 5.88232 8.62711 12.663 numMergedOcc 0
21 mol 127 unq 1 iso 1 dist 9.42513 5.88232 8.62711 9.88569 6.66607 12.663 numMergedOcc 0
22 mol 210 unq 0 iso 0 dist 8.62103 14.9127 8.07523 14.823 7.56882 4.80965 numMergedOcc 0
23 mol 210 unq 0 iso 1 dist 8.62103 14.823 7.56882 14.9127 8.07523 4.80965 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 9.51764 18.2005 9.40003 4.74203 8.68385 17.6476 numMergedOcc 0
25 mol 214 unq 0 iso 1 dist 9.51764 4.74203 8.68385 18.2005 9.40003 17.6476 numMergedOcc 0
26 mol 214 unq 1 iso 0 dist 5.36829 4.87713 9.40003 13.4762 8.68385 17.6476 numMergedOcc 0
27 mol 214 unq 1 iso 1 dist 5.36829 13.4762 8.68385 4.87713 9.40003 17.6476 numMergedOcc 0
28 mol 253 unq 0 iso 0 dist 5.89502 7.60327 8.53729 9.90493 8.07341 5.50591 numMergedOcc 0
29 mol 253 unq 0 iso 1 dist 5.89502 9.90493 8.07341 7.60327 8.53729 5.50591 numMergedOcc 0
30 mol 253 unq 1 iso 0 dist 7.15815 13.127 8.53729 14.7487 8.07341 5.50591 numMergedOcc 0
31 mol 253 unq 1 iso 1 dist 7.15815 14.7487 8.07341 13.127 8.53729 5.50591 numMergedOcc 0
32 mol 261 unq 0 iso 0 dist 9.73983 11.7215 8.50313 13.4973 7.6414 4.70691 numMergedOcc 0
33 mol 261 unq 0 iso 1 dist 9.73983 13.4973 7.6414 11.7215 8.50313 4.70691 numMergedOcc 0
