0 mol 12 unq 0 iso 0 dist 8.09419 9.77151 7.86307 6.28065 4.76018 4.12573 numMergedOcc 0
1 mol 12 unq 0 iso 1 dist 7.86307 9.77151 8.09419 4.12573 4.76018 6.28065 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 8.09419 9.77151 7.86307 5.87389 7.13046 5.83262 numMergedOcc 0
3 mol 12 unq 1 iso 1 dist 7.86307 9.77151 8.09419 5.83262 7.13046 5.87389 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.63008 4.129 8.07958 5.3464 7.46994 6.19026 numMergedOcc 0
5 mol 61 unq 0 iso 1 dist 8.07958 4.129 9.63008 6.19026 7.46994 5.3464 numMergedOcc 0
6 mol 128 unq 0 iso 0 dist 5.89919 5.94498 8.04178 5.41268 7.75012 6.78058 numMergedOcc 0
7 mol 128 unq 0 iso 1 dist 8.04178 5.94498 5.89919 6.78058 7.75012 5.41268 numMergedOcc 0
8 mol 128 unq 1 iso 0 dist 5.89919 5.94498 8.04178 6.06511 6.98158 7.34304 numMergedOcc 0
9 mol 128 unq 1 iso 1 dist 8.04178 5.94498 5.89919 7.34304 6.98158 6.06511 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 6.77398 5.08237 8.06229 10.2038 8.84087 14.42 numMergedOcc 0
11 mol 134 unq 0 iso 1 dist 8.06229 5.08237 6.77398 14.42 8.84087 10.2038 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 6.96294 6.68571 9.76389 4.46354 5.52683 6.74216 numMergedOcc 0
13 mol 141 unq 0 iso 1 dist 9.76389 6.68571 6.96294 6.74216 5.52683 4.46354 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 7.6461 13.4959 7.1093 9.90045 5.26989 4.34943 numMergedOcc 0
15 mol 141 unq 1 iso 1 dist 7.1093 13.4959 7.6461 4.34943 5.26989 9.90045 numMergedOcc 0
16 mol 141 unq 2 iso 0 dist 7.6461 13.4959 7.1093 10.0807 7.76442 9.87387 numMergedOcc 0
17 mol 141 unq 2 iso 1 dist 7.1093 13.4959 7.6461 9.87387 7.76442 10.0807 numMergedOcc 0
18 mol 141 unq 3 iso 0 dist 7.6461 12.3431 7.36421 9.90045 5.26989 4.50791 numMergedOcc 0
19 mol 141 unq 3 iso 1 dist 7.36421 12.3431 7.6461 4.50791 5.26989 9.90045 numMergedOcc 0
20 mol 141 unq 4 iso 0 dist 7.6461 12.3431 7.36421 10.0807 7.76442 4.40308 numMergedOcc 0
21 mol 141 unq 4 iso 1 dist 7.36421 12.3431 7.6461 4.40308 7.76442 10.0807 numMergedOcc 0
22 mol 141 unq 3 iso 0 dist 7.1093 6.20042 7.36421 4.34943 5.26989 4.50791 numMergedOcc 0
23 mol 141 unq 3 iso 1 dist 7.36421 6.20042 7.1093 4.50791 5.26989 4.34943 numMergedOcc 0
24 mol 141 unq 4 iso 0 dist 7.1093 6.20042 7.36421 9.87387 7.76442 4.40308 numMergedOcc 0
25 mol 141 unq 4 iso 1 dist 7.36421 6.20042 7.1093 4.40308 7.76442 9.87387 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 8.22583 8.45516 6.62037 6.15536 5.97685 4.19412 numMergedOcc 0
27 mol 181 unq 0 iso 1 dist 6.62037 8.45516 8.22583 4.19412 5.97685 6.15536 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 5.75996 4.02178 7.44932 8.9959 8.08764 12.8119 numMergedOcc 0
29 mol 239 unq 0 iso 1 dist 7.44932 4.02178 5.75996 12.8119 8.08764 8.9959 numMergedOcc 0
30 mol 267 unq 0 iso 0 dist 7.08658 14.9318 9.18446 12.6602 9.01354 6.18902 numMergedOcc 0
31 mol 267 unq 0 iso 1 dist 9.18446 14.9318 7.08658 6.18902 9.01354 12.6602 numMergedOcc 0
32 mol 267 unq 1 iso 0 dist 7.08658 10.9186 6.60591 12.6602 9.01354 4.37995 numMergedOcc 0
33 mol 267 unq 1 iso 1 dist 6.60591 10.9186 7.08658 4.37995 9.01354 12.6602 numMergedOcc 0
34 mol 267 unq 1 iso 0 dist 9.18446 4.47183 6.60591 6.18902 9.01354 4.37995 numMergedOcc 0
35 mol 267 unq 1 iso 1 dist 6.60591 4.47183 9.18446 4.37995 9.01354 6.18902 numMergedOcc 0
36 mol 271 unq 0 iso 0 dist 6.71956 4.36568 7.2452 4.91325 5.81266 4.22972 numMergedOcc 0
37 mol 271 unq 0 iso 1 dist 7.2452 4.36568 6.71956 4.22972 5.81266 4.91325 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 8.66938 5.88019 9.97399 7.79184 5.7131 6.25614 numMergedOcc 0
39 mol 292 unq 0 iso 1 dist 9.97399 5.88019 8.66938 6.25614 5.7131 7.79184 numMergedOcc 0
