0 mol 53 unq 0 iso 0 dist 9.33236 6.76039 9.73556 14.0264 12.1729 8.5021 numMergedOcc 0
1 mol 88 unq 0 iso 0 dist 9.44737 10.677 9.76849 15.8548 9.99025 7.78176 numMergedOcc 0
2 mol 116 unq 0 iso 0 dist 9.87191 8.77017 8.28931 7.6005 3.82942 8.03113 numMergedOcc 0
3 mol 116 unq 1 iso 0 dist 9.21528 7.43615 8.28931 8.7583 3.82942 8.03113 numMergedOcc 0
4 mol 128 unq 0 iso 0 dist 9.67042 10.3732 5.23695 8.87314 5.53655 6.51968 numMergedOcc 0
5 mol 128 unq 1 iso 0 dist 9.67042 10.3732 5.23695 14.8285 12.1608 7.61237 numMergedOcc 0
6 mol 128 unq 2 iso 0 dist 9.01072 9.77148 5.23695 10.2256 5.53655 6.51968 numMergedOcc 0
7 mol 128 unq 3 iso 0 dist 9.01072 9.77148 5.23695 15.4399 12.1608 7.61237 numMergedOcc 0
8 mol 128 unq 4 iso 0 dist 7.11781 5.18427 5.23695 10.733 5.53655 6.51968 numMergedOcc 0
9 mol 128 unq 5 iso 0 dist 7.11781 5.18427 5.23695 10.7473 12.1608 7.61237 numMergedOcc 0
10 mol 128 unq 6 iso 0 dist 8.77539 5.16811 5.23695 9.38436 5.53655 6.51968 numMergedOcc 0
11 mol 128 unq 7 iso 0 dist 8.77539 5.16811 5.23695 9.03339 12.1608 7.61237 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 9.13697 8.22726 5.20195 5.49198 6.06606 7.50264 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 7.25009 7.64573 5.55218 9.8386 10.0781 9.83653 numMergedOcc 0
14 mol 168 unq 0 iso 0 dist 8.53936 5.21399 5.03696 10.4269 6.28642 6.33621 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 6.51523 5.24208 9.67711 8.81813 11.4851 6.4751 numMergedOcc 0
16 mol 171 unq 1 iso 0 dist 6.51523 5.24208 9.67711 10.1083 12.9811 5.75085 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 7.93715 8.19854 5.08603 15.3295 9.88589 7.37823 numMergedOcc 0
18 mol 273 unq 0 iso 0 dist 8.89714 15.6015 6.95569 16.9741 10.292 9.57659 numMergedOcc 0
19 mol 273 unq 1 iso 0 dist 8.89714 15.6015 6.95569 20.3 12.1867 7.8424 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 5.09181 6.37482 6.24134 8.65334 4.2225 6.46935 numMergedOcc 0
