0 mol 18 unq 0 iso 0 dist 6.19657 5.61403 8.09187 13.0231 9.30649 11.2059 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.87476 5.90067 8.92898 9.04936 8.95402 7.55075 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 8.19398 5.68507 5.48202 8.27479 7.34145 4.95817 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 9.00059 6.64548 8.61909 11.0397 6.4569 13.0539 numMergedOcc 0
4 mol 114 unq 1 iso 0 dist 9.00059 13.0805 5.96977 11.0397 6.4569 7.27945 numMergedOcc 0
5 mol 114 unq 2 iso 0 dist 9.87517 17.9949 8.61909 5.83696 6.4569 13.0539 numMergedOcc 0
6 mol 114 unq 3 iso 0 dist 9.87517 6.45112 5.96977 5.83696 6.4569 7.27945 numMergedOcc 0
7 mol 114 unq 4 iso 0 dist 7.90713 14.5862 8.61909 4.99413 6.4569 13.0539 numMergedOcc 0
8 mol 114 unq 5 iso 0 dist 7.90713 6.10186 5.96977 4.99413 6.4569 7.27945 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 9.80185 10.3678 6.50336 12.6656 8.88454 11.1956 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 9.80185 10.3678 6.50336 14.7644 9.48581 9.65952 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 8.78397 9.92336 9.70169 5.77969 5.42715 6.73177 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 8.78397 9.92336 9.70169 12.7307 7.34557 10.7885 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 9.15935 9.73855 8.22067 8.41671 5.22104 5.33988 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 9.15935 7.36802 8.90564 8.41671 5.22104 4.24398 numMergedOcc 0
15 mol 156 unq 2 iso 0 dist 8.24388 10.9497 8.22067 6.88531 5.22104 5.33988 numMergedOcc 0
16 mol 156 unq 3 iso 0 dist 8.24388 7.03382 8.90564 6.88531 5.22104 4.24398 numMergedOcc 0
17 mol 165 unq 0 iso 0 dist 5.03758 9.18332 9.74517 7.74322 7.61231 5.84487 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.005 5.74407 6.24036 8.99916 8.46395 8.70275 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 7.005 5.74407 6.24036 5.77691 6.08596 4.9087 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 9.8226 6.14528 5.69634 15.1406 6.58003 9.66782 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 9.8226 11.1481 7.91374 15.1406 6.58003 7.61587 numMergedOcc 0
22 mol 234 unq 2 iso 0 dist 9.8226 11.0167 7.35086 15.1406 6.58003 6.56378 numMergedOcc 0
23 mol 234 unq 3 iso 0 dist 9.8226 15.0842 6.81195 15.1406 6.58003 5.3976 numMergedOcc 0
24 mol 234 unq 4 iso 0 dist 9.2653 5.43106 5.69634 10.9639 6.58003 9.66782 numMergedOcc 0
25 mol 234 unq 5 iso 0 dist 9.2653 6.41546 7.91374 10.9639 6.58003 7.61587 numMergedOcc 0
26 mol 234 unq 6 iso 0 dist 9.2653 4.69096 7.35086 10.9639 6.58003 6.56378 numMergedOcc 0
27 mol 234 unq 7 iso 0 dist 9.2653 12.788 6.81195 10.9639 6.58003 5.3976 numMergedOcc 0
28 mol 234 unq 8 iso 0 dist 8.33309 13.0843 5.69634 4.7189 6.58003 9.66782 numMergedOcc 0
29 mol 234 unq 9 iso 0 dist 8.33309 11.9483 7.91374 4.7189 6.58003 7.61587 numMergedOcc 0
30 mol 234 unq 10 iso 0 dist 8.33309 11.0142 7.35086 4.7189 6.58003 6.56378 numMergedOcc 0
31 mol 234 unq 11 iso 0 dist 8.33309 6.7061 6.81195 4.7189 6.58003 5.3976 numMergedOcc 0
32 mol 260 unq 0 iso 0 dist 7.30584 7.09417 8.8385 10.539 9.25019 4.77567 numMergedOcc 0
33 mol 260 unq 1 iso 0 dist 7.30584 7.09417 8.8385 8.01289 4.64695 7.45924 numMergedOcc 0
34 mol 277 unq 0 iso 0 dist 9.48076 8.46112 8.13595 8.7465 8.78893 10.4882 numMergedOcc 0
35 mol 277 unq 1 iso 0 dist 9.48076 8.46112 8.13595 11.1293 4.61089 10.7448 numMergedOcc 0
36 mol 277 unq 2 iso 0 dist 8.04081 13.0233 8.13595 12.7243 8.78893 10.4882 numMergedOcc 0
37 mol 277 unq 3 iso 0 dist 8.04081 13.0233 8.13595 7.29318 4.61089 10.7448 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 7.89784 7.32101 3.93401 9.18401 8.42359 6.67435 numMergedOcc 0
39 mol 292 unq 1 iso 0 dist 7.83983 5.737 3.93401 7.03162 8.42359 6.67435 numMergedOcc 0
