0 mol 25 unq 0 iso 0 dist 9.07927 6.44262 7.31767 9.59151 10.747 6.23095 8.50987 4.51512 6.03987 11.5983 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.50987 6.44262 6.03987 9.59151 11.5983 6.23095 9.07927 4.51512 7.31767 10.747 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 9.6112 9.99897 7.34143 14.9329 10.3287 5.26018 13.5109 9.162 9.80098 12.8491 numMergedOcc 0
3 mol 52 unq 1 iso 0 dist 9.6112 9.99897 7.34143 7.62062 6.03647 7.1203 13.5109 9.162 9.80098 5.92851 numMergedOcc 0
4 mol 52 unq 2 iso 0 dist 6.08894 6.01116 7.34143 10.0047 10.3287 5.26018 12.5042 9.162 9.80098 12.8491 numMergedOcc 0
5 mol 52 unq 3 iso 0 dist 6.08894 6.01116 7.34143 7.33436 6.03647 7.1203 12.5042 9.162 9.80098 5.92851 numMergedOcc 0
6 mol 52 unq 4 iso 0 dist 9.02308 4.98024 7.34143 5.77748 10.3287 5.26018 14.4551 9.162 9.80098 12.8491 numMergedOcc 0
7 mol 52 unq 5 iso 0 dist 9.02308 4.98024 7.34143 10.9458 6.03647 7.1203 14.4551 9.162 9.80098 5.92851 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 8.46313 9.46304 6.72123 12.3585 11.9897 9.70415 10.2837 6.86346 6.65721 5.46309 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 7.09258 10.0936 9.78528 5.97144 6.12361 6.7212 13.592 8.24309 9.96708 11.6369 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 7.02792 6.20162 6.56369 5.72842 7.68675 5.70279 9.16549 12.6515 7.47343 5.92158 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 7.02792 6.20162 6.56369 5.72842 7.68675 5.70279 10.3136 7.80879 6.65086 5.85449 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 7.02792 6.20162 6.56369 5.72842 7.68675 5.70279 12.1758 6.39938 9.30209 9.53223 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 6.3982 5.29965 5.11551 8.98702 5.47689 6.55511 11.6013 6.5838 7.11972 6.00348 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 8.98848 14.6144 7.90328 13.9732 5.21051 7.0318 21.8083 13.1058 9.84395 8.12649 numMergedOcc 0
15 mol 142 unq 0 iso 0 dist 6.91573 7.18287 5.31024 12.2385 6.3846 9.14908 12.0967 5.50998 7.26382 4.39297 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 5.47189 5.48717 7.54065 6.03801 8.61343 5.16813 11.9058 13.8792 9.70748 5.87924 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 5.47189 5.48717 7.54065 6.03801 8.61343 5.16813 10.1325 5.74635 8.87694 11.0854 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 9.68636 5.6419 7.03423 7.68999 5.65373 5.00457 7.81415 6.84129 9.06952 6.23084 numMergedOcc 0
19 mol 229 unq 1 iso 0 dist 7.81415 5.6419 9.06952 7.68999 6.23084 5.00457 9.68636 6.84129 7.03423 5.65373 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 5.27188 5.34337 7.32223 9.4691 9.23512 7.26981 10.4338 7.25988 8.31064 10.8952 numMergedOcc 0
21 mol 253 unq 1 iso 0 dist 5.27188 5.34337 7.32223 13.6574 12.3948 9.02643 10.4338 7.25988 8.31064 8.25257 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 9.80417 10.759 6.60405 15.3481 5.70285 8.9706 15.1916 7.26417 6.42289 6.50871 numMergedOcc 0
