0 mol 7 unq 0 iso 0 dist 6.36911 6.81066 5.28535 13.2247 9.36807 12.7325 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.23643 6.50337 12.9293 5.03957 8.73972 9.57968 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.20943 6.10339 7.27506 7.83352 6.00439 11.4326 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 6.20943 6.10339 7.27506 7.67038 7.82528 10.8897 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 7.82528 6.50337 13.3749 10.8007 6.00439 16.4287 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 7.82528 6.50337 13.3749 7.67038 6.20943 10.7864 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 6.77912 4.69674 9.58779 5.36766 8.624 9.8133 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 5.64598 6.13011 7.17738 7.4697 8.70133 13.0916 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 5.64598 6.13011 7.17738 5.7113 4.65521 10.3501 numMergedOcc 0
9 mol 90 unq 0 iso 0 dist 8.39016 9.78235 3.96397 7.60026 6.99355 8.92069 numMergedOcc 0
10 mol 90 unq 1 iso 0 dist 6.99355 8.92069 3.96397 7.60026 8.39016 9.78235 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 4.76815 6.84197 4.07616 6.90824 9.39469 12.9789 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 8.68821 8.06359 4.62296 8.66412 7.12609 10.6981 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 6.19042 8.20715 4.15435 9.22558 8.43904 6.16081 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 7.44174 8.20715 9.54775 11.3169 7.39889 16.3033 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 7.44174 8.20715 9.54775 12.4603 9.63176 11.8946 numMergedOcc 0
16 mol 119 unq 3 iso 0 dist 8.43904 6.16081 4.15435 9.22558 6.19042 8.20715 numMergedOcc 0
17 mol 127 unq 0 iso 0 dist 8.59981 8.82676 16.7971 11.279 6.192 19.6455 numMergedOcc 0
18 mol 127 unq 1 iso 0 dist 8.59981 8.82676 16.7971 11.4958 7.69308 20.2217 numMergedOcc 0
19 mol 127 unq 2 iso 0 dist 8.59981 8.82676 16.7971 5.55757 7.66331 11.6801 numMergedOcc 0
20 mol 127 unq 3 iso 0 dist 7.66331 7.46793 8.01461 8.77327 6.192 12.3855 numMergedOcc 0
21 mol 127 unq 4 iso 0 dist 7.66331 7.46793 8.01461 11.521 7.69308 15.3066 numMergedOcc 0
22 mol 127 unq 5 iso 0 dist 7.66331 7.46793 8.01461 5.55757 8.59981 9.6661 numMergedOcc 0
23 mol 127 unq 6 iso 0 dist 7.34519 8.82676 6.16606 5.55757 8.58999 11.6801 numMergedOcc 0
24 mol 127 unq 7 iso 0 dist 7.34519 8.82676 6.16606 6.16471 6.63981 8.17522 numMergedOcc 0
25 mol 127 unq 8 iso 0 dist 8.58999 7.46793 8.10285 5.55757 7.34519 9.6661 numMergedOcc 0
26 mol 127 unq 9 iso 0 dist 8.58999 7.46793 8.10285 4.48524 6.63981 9.50837 numMergedOcc 0
27 mol 127 unq 10 iso 0 dist 6.63981 9.50837 8.10285 6.16471 7.34519 9.6661 numMergedOcc 0
28 mol 127 unq 11 iso 0 dist 6.63981 9.50837 8.10285 4.48524 8.58999 7.46793 numMergedOcc 0
29 mol 127 unq 12 iso 0 dist 6.63981 8.17522 6.16606 6.16471 7.34519 8.82676 numMergedOcc 0
30 mol 127 unq 13 iso 0 dist 6.63981 8.17522 6.16606 4.48524 8.58999 11.6801 numMergedOcc 0
31 mol 132 unq 0 iso 0 dist 6.03703 5.36351 9.99932 4.35917 7.61505 9.16685 numMergedOcc 0
32 mol 143 unq 0 iso 0 dist 7.31468 9.3169 6.45748 5.72828 7.7056 5.5639 numMergedOcc 0
33 mol 143 unq 1 iso 0 dist 7.7056 5.5639 6.45748 5.72828 7.31468 9.3169 numMergedOcc 0
34 mol 155 unq 0 iso 0 dist 7.36102 6.89245 9.97388 10.7616 7.39644 14.4885 numMergedOcc 0
35 mol 214 unq 0 iso 0 dist 8.60247 7.06087 4.77836 10.3105 7.46831 11.1906 numMergedOcc 0
36 mol 218 unq 0 iso 0 dist 7.17547 6.48765 12.2094 7.83217 7.13323 13.3844 numMergedOcc 0
37 mol 240 unq 0 iso 0 dist 6.15305 5.31041 10.3605 4.28414 7.03489 8.82226 numMergedOcc 0
