0 mol 14 unq 0 iso 0 dist 9.31271 10.3326 9.04767 13.6817 5.67201 9.7022 10.2904 5.99703 6.03847 8.82819 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 9.31271 10.3326 9.04767 13.1379 4.53725 9.58196 10.2904 5.99703 6.03847 5.36937 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 17.2959 10.0952 6.86014 23.1023 15.5112 11.4109 8.0319 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 6.68311 15.0607 9.96708 10.1663 8.24309 9.78528 4.23581 8.21743 13.7926 8.4143 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 8.96916 5.92158 6.45675 5.70279 5.33144 7.47343 7.2371 14.2807 12.9061 9.22737 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 5.70279 5.85449 6.65086 11.3277 5.88134 9.60661 16.105 11.1764 14.9329 7.689 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 5.70279 7.68675 6.56369 11.3277 5.88134 9.35224 16.105 11.1764 10.3954 7.689 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 12.3933 5.49782 8.94367 10.3591 6.48328 10.0911 9.16358 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 7.27598 6.50005 6.37586 5.57904 5.00817 6.49416 5.86552 11.3169 6.65283 8.86784 numMergedOcc 0
9 mol 134 unq 2 iso 0 dist 7.27598 12.0971 9.71307 12.3933 5.49782 9.86662 10.3591 6.48328 9.66197 9.16358 numMergedOcc 0
10 mol 134 unq 3 iso 0 dist 5.57904 6.50005 6.49416 12.3933 8.80819 8.94367 10.3591 11.0053 10.0911 9.16358 numMergedOcc 0
11 mol 134 unq 4 iso 0 dist 5.57904 6.50005 6.49416 7.27598 5.00817 6.37586 10.3591 11.0053 10.0911 6.48328 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 9.73411 9.81806 6.57273 10.1632 5.0744 6.60589 10.5625 10.8126 4.93626 8.80858 numMergedOcc 0
13 mol 224 unq 1 iso 0 dist 9.73411 5.99647 5.78342 10.1632 5.0744 9.16166 10.5625 10.8126 11.8641 8.80858 numMergedOcc 0
14 mol 224 unq 2 iso 0 dist 7.75485 5.99647 5.81334 10.1632 6.91102 9.16166 10.5625 13.3427 11.8641 8.80858 numMergedOcc 0
15 mol 224 unq 3 iso 0 dist 7.07564 10.8463 6.57273 12.0295 5.0744 6.60589 15.3083 10.8126 4.93626 8.80858 numMergedOcc 0
16 mol 224 unq 4 iso 0 dist 7.07564 5.44863 5.78342 12.0295 5.0744 9.16166 15.3083 10.8126 11.8641 8.80858 numMergedOcc 0
17 mol 224 unq 5 iso 0 dist 9.11052 5.44863 5.81334 12.0295 6.91102 9.16166 15.3083 13.3427 11.8641 8.80858 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 12.0857 5.22356 8.65997 7.50456 8.27093 10.9396 9.02226 numMergedOcc 0
19 mol 227 unq 1 iso 0 dist 9.60159 7.51316 7.22101 14.7829 12.4689 7.55216 12.3726 15.8356 9.775 9.78611 numMergedOcc 0
20 mol 227 unq 2 iso 0 dist 7.71761 5.841 7.55216 12.9898 12.4689 7.22101 15.3416 18.1901 10.9396 8.27093 numMergedOcc 0
21 mol 227 unq 3 iso 0 dist 7.71761 5.841 7.55216 14.1659 12.9332 8.65997 15.3416 18.1901 10.9396 9.02226 numMergedOcc 0
22 mol 229 unq 0 iso 0 dist 8.8557 5.65373 8.22528 5.00457 5.57838 7.03423 5.30728 10.7513 9.15968 8.83023 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 8.68368 8.25257 6.73034 9.02643 8.02948 8.31064 11.4971 14.3398 9.65021 8.82388 numMergedOcc 0
24 mol 261 unq 0 iso 0 dist 8.17205 9.27298 8.43057 15.127 10.1239 7.73141 5.35625 5.00128 5.09097 9.77784 numMergedOcc 0
25 mol 276 unq 0 iso 0 dist 8.79189 6.33662 6.87396 13.9936 6.88557 9.8993 17.0027 12.9942 11.2406 8.15803 numMergedOcc 0
