0 mol 28 unq 0 iso 0 dist 7.64064 11.8666 9.20625 5.85197 7.37857 6.67638 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 7.64064 11.8666 9.20625 7.47027 4.7978 6.29954 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.52826 10.0697 8.33169 5.85197 8.08195 10.922 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.52826 10.0697 8.33169 5.11301 5.78587 5.18775 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 7.54056 4.55207 8.2071 5.24517 7.57624 4.35049 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 7.54056 4.55207 8.2071 15.868 9.29609 17.4466 numMergedOcc 0
6 mol 30 unq 2 iso 0 dist 8.62106 14.7204 8.2071 15.5245 7.57624 4.35049 numMergedOcc 0
7 mol 30 unq 3 iso 0 dist 8.62106 14.7204 8.2071 7.47204 9.29609 17.4466 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 9.64066 13.3185 8.02616 5.73872 5.92729 11.0524 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 5.53721 12.7823 8.76341 5.07266 8.82299 15.4077 numMergedOcc 0
10 mol 135 unq 0 iso 0 dist 9.61954 5.29409 9.84219 13.4163 9.54038 10.268 numMergedOcc 0
11 mol 151 unq 0 iso 0 dist 7.29346 3.84714 9.62391 14.6208 9.07182 14.9295 numMergedOcc 0
12 mol 159 unq 0 iso 0 dist 9.86323 11.624 7.67418 11.4951 9.37298 4.92046 numMergedOcc 0
13 mol 159 unq 1 iso 0 dist 9.86323 11.624 7.67418 6.02267 8.02691 9.94088 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 6.59468 10.6179 9.94807 9.82261 6.45821 4.66436 numMergedOcc 0
15 mol 230 unq 0 iso 0 dist 7.02381 4.55691 7.668 5.33482 7.74885 4.32828 numMergedOcc 0
16 mol 240 unq 0 iso 0 dist 6.43461 12.7163 8.46413 5.02268 7.35934 13.7283 numMergedOcc 0
17 mol 240 unq 1 iso 0 dist 6.43461 4.66693 9.95046 5.02268 7.35934 9.39563 numMergedOcc 0
18 mol 240 unq 2 iso 0 dist 8.87826 13.4156 8.46413 3.38705 7.35934 13.7283 numMergedOcc 0
19 mol 240 unq 3 iso 0 dist 8.87826 8.71995 9.95046 3.38705 7.35934 9.39563 numMergedOcc 0
20 mol 268 unq 0 iso 0 dist 8.04119 10.2436 7.79813 7.47414 4.89865 3.57919 numMergedOcc 0
21 mol 268 unq 1 iso 0 dist 8.04119 4.84665 9.54291 7.47414 4.89865 10.0762 numMergedOcc 0
