0 mol 4 unq 0 iso 0 dist 6.59244 13.7441 9.4539 5.33112 6.47964 13.2947 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 6.59244 5.33112 6.47964 13.7441 9.4539 13.2947 numMergedOcc 0
2 mol 4 unq 1 iso 0 dist 6.59244 13.7441 9.4539 5.5304 9.50144 17.7473 numMergedOcc 0
3 mol 4 unq 1 iso 1 dist 6.59244 5.5304 9.50144 13.7441 9.4539 17.7473 numMergedOcc 0
4 mol 4 unq 1 iso 0 dist 6.59244 5.33112 6.47964 5.5304 9.50144 5.15137 numMergedOcc 0
5 mol 4 unq 1 iso 1 dist 6.59244 5.5304 9.50144 5.33112 6.47964 5.15137 numMergedOcc 0
6 mol 4 unq 2 iso 0 dist 8.15534 5.12159 6.12485 10.7952 9.04027 9.77707 numMergedOcc 0
7 mol 4 unq 2 iso 1 dist 8.15534 10.7952 9.04027 5.12159 6.12485 9.77707 numMergedOcc 0
8 mol 9 unq 0 iso 0 dist 7.70405 7.90063 8.01055 4.86477 8.61976 4.35219 numMergedOcc 0
9 mol 9 unq 0 iso 1 dist 7.70405 4.86477 8.61976 7.90063 8.01055 4.35219 numMergedOcc 0
10 mol 10 unq 0 iso 0 dist 9.24292 7.2786 8.03458 8.58855 8.2106 10.4382 numMergedOcc 0
11 mol 10 unq 0 iso 1 dist 9.24292 8.58855 8.2106 7.2786 8.03458 10.4382 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 9.6177 6.24063 8.16246 11.6553 9.48823 5.58256 numMergedOcc 0
13 mol 54 unq 0 iso 1 dist 9.6177 11.6553 9.48823 6.24063 8.16246 5.58256 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 9.23755 10.3397 7.58027 8.31117 4.34694 3.73929 numMergedOcc 0
15 mol 73 unq 0 iso 1 dist 9.23755 8.31117 4.34694 10.3397 7.58027 3.73929 numMergedOcc 0
16 mol 87 unq 0 iso 0 dist 6.62798 10.7803 9.90256 5.34066 5.63748 10.445 numMergedOcc 0
17 mol 87 unq 0 iso 1 dist 6.62798 5.34066 5.63748 10.7803 9.90256 10.445 numMergedOcc 0
18 mol 87 unq 1 iso 0 dist 9.94718 13.2349 9.90256 5.22028 5.63748 10.445 numMergedOcc 0
19 mol 87 unq 1 iso 1 dist 9.94718 5.22028 5.63748 13.2349 9.90256 10.445 numMergedOcc 0
20 mol 103 unq 0 iso 0 dist 5.8915 5.29804 8.078 8.4824 6.56481 11.6637 numMergedOcc 0
21 mol 103 unq 0 iso 1 dist 5.8915 8.4824 6.56481 5.29804 8.078 11.6637 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 9.18707 10.4327 8.80824 5.31483 9.67606 6.10898 numMergedOcc 0
23 mol 115 unq 0 iso 1 dist 9.18707 5.31483 9.67606 10.4327 8.80824 6.10898 numMergedOcc 0
24 mol 187 unq 0 iso 0 dist 9.55621 9.61673 5.58167 12.9459 8.0501 11.6883 numMergedOcc 0
25 mol 187 unq 0 iso 1 dist 9.55621 12.9459 8.0501 9.61673 5.58167 11.6883 numMergedOcc 0
26 mol 189 unq 0 iso 0 dist 9.36549 5.42089 6.77641 9.94975 7.54658 6.4062 numMergedOcc 0
27 mol 189 unq 0 iso 1 dist 9.36549 9.94975 7.54658 5.42089 6.77641 6.4062 numMergedOcc 0
28 mol 192 unq 0 iso 0 dist 8.82945 7.41218 7.36571 16.7139 9.80122 11.1205 numMergedOcc 0
29 mol 192 unq 0 iso 1 dist 8.82945 16.7139 9.80122 7.41218 7.36571 11.1205 numMergedOcc 0
30 mol 192 unq 1 iso 0 dist 8.82945 7.41218 7.36571 14.6803 9.17137 8.74203 numMergedOcc 0
31 mol 192 unq 1 iso 1 dist 8.82945 14.6803 9.17137 7.41218 7.36571 8.74203 numMergedOcc 0
32 mol 192 unq 1 iso 0 dist 8.82945 16.7139 9.80122 14.6803 9.17137 8.95038 numMergedOcc 0
33 mol 192 unq 1 iso 1 dist 8.82945 14.6803 9.17137 16.7139 9.80122 8.95038 numMergedOcc 0
34 mol 204 unq 0 iso 0 dist 6.58174 10.9794 6.20044 9.00243 8.41232 6.2357 numMergedOcc 0
35 mol 204 unq 0 iso 1 dist 6.58174 9.00243 8.41232 10.9794 6.20044 6.2357 numMergedOcc 0
36 mol 214 unq 0 iso 0 dist 7.24175 11.0439 5.86911 8.85251 7.89258 5.68826 numMergedOcc 0
37 mol 214 unq 0 iso 1 dist 7.24175 8.85251 7.89258 11.0439 5.86911 5.68826 numMergedOcc 0
38 mol 220 unq 0 iso 0 dist 5.60195 5.84371 9.89039 12.9073 8.57174 15.5559 numMergedOcc 0
39 mol 220 unq 0 iso 1 dist 5.60195 12.9073 8.57174 5.84371 9.89039 15.5559 numMergedOcc 0
40 mol 220 unq 1 iso 0 dist 7.87359 4.72275 9.89039 15.2936 8.57174 15.5559 numMergedOcc 0
41 mol 220 unq 1 iso 1 dist 7.87359 15.2936 8.57174 4.72275 9.89039 15.5559 numMergedOcc 0
42 mol 245 unq 0 iso 0 dist 8.03294 8.2332 9.96585 9.39435 7.27022 5.15551 numMergedOcc 0
43 mol 245 unq 0 iso 1 dist 8.03294 9.39435 7.27022 8.2332 9.96585 5.15551 numMergedOcc 0
44 mol 245 unq 1 iso 0 dist 8.03294 8.2332 9.96585 15.5115 7.95061 14.3262 numMergedOcc 0
45 mol 245 unq 1 iso 1 dist 8.03294 15.5115 7.95061 8.2332 9.96585 14.3262 numMergedOcc 0
46 mol 245 unq 1 iso 0 dist 8.03294 9.39435 7.27022 15.5115 7.95061 9.67137 numMergedOcc 0
47 mol 245 unq 1 iso 1 dist 8.03294 15.5115 7.95061 9.39435 7.27022 9.67137 numMergedOcc 0
48 mol 261 unq 0 iso 0 dist 6.93654 4.95392 7.58385 6.94755 6.0437 5.29945 numMergedOcc 0
49 mol 261 unq 0 iso 1 dist 6.93654 6.94755 6.0437 4.95392 7.58385 5.29945 numMergedOcc 0
50 mol 261 unq 1 iso 0 dist 9.66298 6.94755 4.85199 17.3605 9.72159 10.4196 numMergedOcc 0
51 mol 261 unq 1 iso 1 dist 9.66298 17.3605 9.72159 6.94755 4.85199 10.4196 numMergedOcc 0
52 mol 266 unq 0 iso 0 dist 7.72433 5.86368 6.57444 4.95934 7.9555 5.77131 numMergedOcc 0
53 mol 266 unq 0 iso 1 dist 7.72433 4.95934 7.9555 5.86368 6.57444 5.77131 numMergedOcc 0
54 mol 273 unq 0 iso 0 dist 7.29081 12.2394 5.78262 7.5139 7.6489 8.60201 numMergedOcc 0
55 mol 273 unq 0 iso 1 dist 7.29081 7.5139 7.6489 12.2394 5.78262 8.60201 numMergedOcc 0
56 mol 285 unq 0 iso 0 dist 4.49395 9.47966 7.872 6.49869 6.32984 8.70014 numMergedOcc 0
57 mol 285 unq 0 iso 1 dist 4.49395 6.49869 6.32984 9.47966 7.872 8.70014 numMergedOcc 0
