0 mol 16 unq 0 iso 0 dist 8.63347 5.38671 6.57331 11.3479 6.09368 6.42835 15.4576 13.1847 10.2656 7.65889 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.10473 13.7275 7.52933 21.5876 16.0628 9.49421 24.3931 16.4232 10.9391 9.48085 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.94577 9.36442 4.79873 18.4003 12.7147 9.48085 18.4872 12.3944 10.9391 9.49421 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 9.20827 13.7275 8.23761 21.5876 14.6175 9.49421 24.3931 17.2964 10.9391 9.48085 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.86502 7.06403 7.66093 12.077 5.75711 6.21799 11.4371 12.952 7.04035 9.74228 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 9.86502 7.06403 7.66093 12.077 5.75711 6.21799 14.5236 12.1131 8.24309 7.12321 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 9.86502 7.06403 7.66093 10.4135 5.26077 5.03251 9.75606 13.336 5.8486 9.56773 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 5.79157 5.72472 8.72682 7.91605 9.76138 5.61588 6.71593 10.2939 8.07446 5.5087 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 5.79157 5.72472 8.72682 6.43707 5.81659 7.83244 6.71593 10.2939 8.07446 6.08682 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 7.91605 6.71593 5.5087 6.43707 5.30471 6.08682 5.72472 5.61588 8.07446 7.83244 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 7.91605 5.72472 5.61588 6.43707 5.30471 7.83244 6.71593 5.5087 8.07446 6.08682 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 6.43707 6.71593 6.08682 7.91605 5.30471 5.5087 5.72472 7.83244 8.07446 5.61588 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 6.43707 5.72472 7.83244 7.91605 5.30471 5.61588 6.71593 6.08682 8.07446 5.5087 numMergedOcc 0
13 mol 89 unq 0 iso 0 dist 8.68698 10.5385 6.53308 14.1786 7.04263 7.47974 16.4763 13.0722 9.1532 8.40422 numMergedOcc 0
14 mol 89 unq 1 iso 0 dist 8.68698 10.5385 6.53308 14.1786 7.04263 7.47974 14.2481 10.7697 4.8812 8.40425 numMergedOcc 0
15 mol 89 unq 2 iso 0 dist 8.68698 10.5385 6.53308 14.1786 7.04263 7.47974 18.7589 12.3442 10.4087 5.51831 numMergedOcc 0
16 mol 89 unq 3 iso 0 dist 8.68698 10.5385 6.53308 14.1786 7.04263 7.47974 20.6713 15.1929 10.8948 9.65149 numMergedOcc 0
17 mol 142 unq 0 iso 0 dist 8.21936 9.20754 7.18002 16.013 13.4681 7.81207 10.5967 10.7696 5.32922 6.14151 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 8.78112 9.66339 8.9192 10.3465 3.55572 6.59889 13.9994 9.27706 7.65448 6.70693 numMergedOcc 0
19 mol 207 unq 0 iso 0 dist 8.72885 6.93784 5.12567 12.5791 6.07936 6.0563 9.71695 10.4761 5.99308 9.98372 numMergedOcc 0
20 mol 207 unq 1 iso 0 dist 8.72885 6.93784 5.12567 14.9962 10.1734 8.1244 9.71695 10.4761 5.99308 9.1528 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 8.31344 15.2767 8.19317 13.1315 4.8835 6.29377 11.9322 5.1823 7.218 5.70635 numMergedOcc 0
22 mol 235 unq 1 iso 0 dist 8.31344 11.9322 5.1823 13.1315 4.8835 5.70635 15.2767 8.19317 7.218 6.29377 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.53006 5.0871 9.07475 6.83837 3.46869 6.99888 7.34986 12.47 10.1813 9.08509 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 6.13272 12.9146 9.46442 7.02679 3.57128 7.30758 13.9754 13.4489 10.3106 9.9182 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 6.13272 12.9146 9.46442 7.02679 3.57128 7.30758 5.4258 9.96037 12.6861 9.10788 numMergedOcc 0
26 mol 292 unq 2 iso 0 dist 7.02679 13.9754 9.9182 9.08889 9.43063 8.9221 5.4258 9.10788 12.1693 8.85064 numMergedOcc 0
27 mol 292 unq 3 iso 0 dist 7.02679 5.4258 9.10788 9.08889 9.43063 8.85064 13.9754 9.9182 12.1693 8.9221 numMergedOcc 0
28 mol 292 unq 4 iso 0 dist 9.08889 13.9754 8.9221 7.02679 9.43063 9.9182 12.9146 14.8054 10.3106 7.30758 numMergedOcc 0
29 mol 292 unq 5 iso 0 dist 9.08889 13.9754 8.9221 7.02679 9.43063 9.9182 5.4258 8.85064 12.1693 9.10788 numMergedOcc 0
30 mol 292 unq 6 iso 0 dist 9.08889 5.4258 8.85064 7.02679 9.43063 9.10788 13.9754 8.9221 12.1693 9.9182 numMergedOcc 0
31 mol 292 unq 7 iso 0 dist 9.08889 5.4258 8.85064 7.02679 9.43063 9.10788 12.9146 14.8054 12.6861 7.30758 numMergedOcc 0
