0 mol 18 unq 0 iso 0 dist 5.03976 5.02571 8.52106 10.3745 8.80193 10.6757 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 5.03976 6.78812 6.32451 10.3745 8.80193 7.62011 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 8.23418 5.46406 9.20119 6.66825 5.55096 10.7082 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 7.13638 7.33437 8.81638 4.35705 7.6481 9.62267 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.31622 9.78246 8.68586 12.7532 9.32552 6.21578 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 9.31622 4.23724 9.54144 12.7532 9.32552 11.4485 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 6.18729 4.73852 9.39469 9.68856 7.09065 9.36726 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 6.18729 4.58978 4.76815 9.68856 7.09065 7.16919 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 6.32393 10.8558 6.81812 13.0372 7.33541 9.76608 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 9.70951 12.9683 7.39889 14.2606 7.26955 5.92984 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 9.70951 9.43252 9.63176 14.2606 7.26955 15.5019 numMergedOcc 0
11 mol 119 unq 2 iso 0 dist 9.70951 5.53626 7.44174 14.2606 7.26955 10.314 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 7.6461 4.93029 6.93652 9.90045 5.26989 7.42649 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 7.6461 4.93029 6.93652 10.0807 7.76442 10.6531 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 7.6461 5.83329 9.54444 9.90045 5.26989 8.39549 numMergedOcc 0
15 mol 141 unq 3 iso 0 dist 7.6461 5.83329 9.54444 10.0807 7.76442 8.43221 numMergedOcc 0
16 mol 141 unq 4 iso 0 dist 7.1093 10.5394 6.93652 4.34943 5.26989 7.42649 numMergedOcc 0
17 mol 141 unq 5 iso 0 dist 7.1093 10.5394 6.93652 9.87387 7.76442 10.6531 numMergedOcc 0
18 mol 141 unq 6 iso 0 dist 7.1093 12.6317 9.54444 4.34943 5.26989 8.39549 numMergedOcc 0
19 mol 141 unq 7 iso 0 dist 7.1093 12.6317 9.54444 9.87387 7.76442 8.43221 numMergedOcc 0
20 mol 141 unq 8 iso 0 dist 7.36421 11.2797 6.93652 4.50791 5.26989 7.42649 numMergedOcc 0
21 mol 141 unq 9 iso 0 dist 7.36421 11.2797 6.93652 4.40308 7.76442 10.6531 numMergedOcc 0
22 mol 141 unq 10 iso 0 dist 7.36421 10.6361 9.54444 4.50791 5.26989 8.39549 numMergedOcc 0
23 mol 141 unq 11 iso 0 dist 7.36421 10.6361 9.54444 4.40308 7.76442 8.43221 numMergedOcc 0
24 mol 156 unq 0 iso 0 dist 7.08808 4.30841 6.88137 5.57422 7.30946 6.14767 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 7.82604 5.49666 9.6668 10.5886 5.95304 9.34211 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 8.22583 11.755 7.98142 6.15536 5.97685 5.63555 numMergedOcc 0
27 mol 181 unq 2 iso 0 dist 6.62037 5.49497 7.98142 4.19412 5.97685 5.63555 numMergedOcc 0
28 mol 181 unq 3 iso 0 dist 6.21461 5.49497 7.37327 4.19412 8.9289 5.63555 numMergedOcc 0
29 mol 225 unq 0 iso 0 dist 8.94219 10.0712 5.50387 16.3258 9.47117 8.32583 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 7.8126 10.8225 5.65339 6.27651 6.54825 7.77516 numMergedOcc 0
31 mol 235 unq 1 iso 0 dist 7.79898 11.3444 9.58736 9.28045 7.31773 15.6327 numMergedOcc 0
32 mol 235 unq 2 iso 0 dist 7.79898 5.04474 9.43058 9.28045 7.31773 10.632 numMergedOcc 0
33 mol 235 unq 3 iso 0 dist 7.79898 5.84429 8.75735 9.28045 7.31773 6.01041 numMergedOcc 0
34 mol 235 unq 4 iso 0 dist 7.79898 11.1685 6.98084 9.28045 7.31773 6.82855 numMergedOcc 0
35 mol 235 unq 5 iso 0 dist 7.79898 13.5816 7.32211 9.28045 7.31773 6.46722 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 8.26544 5.07226 8.71415 4.37382 7.15195 5.99272 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 8.58887 11.959 8.14172 16.018 8.90076 12.2874 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 8.58887 11.959 8.14172 14.4465 6.62002 7.11984 numMergedOcc 0
39 mol 238 unq 3 iso 0 dist 8.58887 9.02336 6.77463 16.018 8.90076 10.4017 numMergedOcc 0
40 mol 238 unq 4 iso 0 dist 8.58887 9.02336 6.77463 14.4465 6.62002 7.95232 numMergedOcc 0
41 mol 267 unq 0 iso 0 dist 7.08658 7.04458 8.76007 12.6602 9.01354 9.33806 numMergedOcc 0
42 mol 267 unq 1 iso 0 dist 9.18446 14.0558 8.76007 6.18902 9.01354 9.33806 numMergedOcc 0
43 mol 267 unq 2 iso 0 dist 6.60591 10.3309 8.76007 4.37995 9.01354 9.33806 numMergedOcc 0
