0 mol 43 unq 0 iso 0 dist 9.93832 6.6263 4.55347 8.13395 8.60739 6.75943 10.8828 7.24352 8.34145 5.07458 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.60739 6.75943 4.55347 8.13395 9.93832 6.6263 5.07458 7.24352 8.34145 10.8828 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.85586 5.5087 5.50891 8.07446 5.16364 5.61588 6.41115 9.28577 8.46627 5.9144 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.85586 6.08682 4.75954 8.07446 5.16364 7.83244 6.41115 9.28577 9.22208 5.9144 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 5.16364 5.61588 5.50891 8.07446 8.85586 5.5087 5.9144 9.28577 8.46627 6.41115 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 5.16364 7.83244 4.75954 8.07446 8.85586 6.08682 5.9144 9.28577 9.22208 6.41115 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 7.11 5.5087 7.50869 8.07446 11.2874 5.61588 6.41115 11.9068 8.46627 5.9144 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 7.11 6.08682 3.6807 8.07446 11.2874 7.83244 6.41115 11.9068 9.22208 5.9144 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 4.79949 9.85905 11.0792 10.2879 13.187 6.72869 15.4159 17.7033 9.59729 5.31985 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 7.27693 9.85905 6.48293 10.2879 11.2278 6.72869 15.4159 15.0426 9.59729 5.31985 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.0831 9.89083 11.0597 7.15843 13.8663 8.52024 10.9531 17.0216 9.09348 4.69373 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 5.72642 9.42082 10.5109 7.69052 10.9734 6.39384 6.01673 10.6602 7.65564 6.95773 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 7.36779 9.66543 4.935 5.62899 8.20836 7.21868 4.46337 5.11043 8.62504 7.41373 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 7.36779 9.66543 4.935 10.7144 10.873 7.93372 4.46337 5.11043 8.62504 10.8635 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 8.20836 7.21868 4.935 5.62899 7.36779 9.66543 7.41373 5.11043 8.62504 4.46337 numMergedOcc 0
15 mol 134 unq 3 iso 0 dist 8.20836 7.21868 4.935 5.49782 10.873 7.93372 7.41373 5.11043 8.62504 10.8635 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 7.20574 6.61112 8.58039 7.09479 12.6244 8.90571 10.8286 14.6369 8.5672 5.75483 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 5.22356 5.4694 6.91318 4.664 10.5857 8.85955 8.49509 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 8.38865 5.23634 7.3164 5.22356 5.4694 6.91318 4.1511 5.28771 6.09335 4.69247 numMergedOcc 0
19 mol 227 unq 2 iso 0 dist 5.4694 6.91318 7.3164 5.22356 8.38865 5.23634 8.49509 10.5857 8.85955 4.664 numMergedOcc 0
20 mol 227 unq 3 iso 0 dist 5.4694 6.91318 7.3164 5.22356 8.38865 5.23634 4.69247 5.28771 6.09335 4.1511 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 7.32982 9.72188 13.0611 15.7907 17.2012 9.12776 10.4706 13.4758 4.66186 5.71717 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 7.52281 5.90924 7.36132 7.07277 12.2392 5.90058 5.71153 6.02757 9.78237 12.6872 numMergedOcc 0
23 mol 264 unq 1 iso 0 dist 7.52281 5.90924 7.36132 7.07277 12.2392 5.90058 5.70542 11.9664 9.70101 9.63145 numMergedOcc 0
24 mol 264 unq 2 iso 0 dist 7.52281 5.90924 7.36132 7.07277 12.2392 5.90058 6.87635 8.67231 9.95798 12.9337 numMergedOcc 0
25 mol 264 unq 3 iso 0 dist 7.52281 5.90924 7.36132 8.96144 6.42588 9.58916 5.71153 6.02757 9.78237 6.56539 numMergedOcc 0
26 mol 264 unq 4 iso 0 dist 7.52281 5.90924 7.36132 8.96144 6.42588 9.58916 5.70542 11.9664 9.70101 10.1301 numMergedOcc 0
27 mol 264 unq 5 iso 0 dist 7.52281 5.90924 7.36132 8.96144 6.42588 9.58916 6.87635 8.67231 9.95798 4.76241 numMergedOcc 0
28 mol 264 unq 6 iso 0 dist 6.42588 9.58916 7.36132 8.96144 7.52281 5.90924 6.56539 6.02757 9.78237 5.71153 numMergedOcc 0
29 mol 264 unq 7 iso 0 dist 6.42588 9.58916 7.36132 8.96144 7.52281 5.90924 10.1301 11.9664 9.70101 5.70542 numMergedOcc 0
30 mol 264 unq 8 iso 0 dist 6.42588 9.58916 7.36132 8.96144 7.52281 5.90924 4.76241 8.67231 9.95798 6.87635 numMergedOcc 0
31 mol 264 unq 9 iso 0 dist 6.42588 9.58916 7.36132 14.3597 12.2392 5.90058 6.56539 6.02757 9.78237 12.6872 numMergedOcc 0
32 mol 264 unq 10 iso 0 dist 6.42588 9.58916 7.36132 14.3597 12.2392 5.90058 10.1301 11.9664 9.70101 9.63145 numMergedOcc 0
33 mol 264 unq 11 iso 0 dist 6.42588 9.58916 7.36132 14.3597 12.2392 5.90058 4.76241 8.67231 9.95798 12.9337 numMergedOcc 0
34 mol 264 unq 12 iso 0 dist 6.04162 9.19754 5.82131 4.92077 6.14323 8.29262 11.4167 7.14086 9.78237 13.2035 numMergedOcc 0
35 mol 264 unq 13 iso 0 dist 6.14323 8.29262 5.82131 4.92077 6.04162 9.19754 13.2035 7.14086 9.78237 11.4167 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 6.57903 9.57499 14.6871 7.69449 11.5506 5.46926 11.2997 13.6334 7.16209 4.40029 numMergedOcc 0
37 mol 277 unq 1 iso 0 dist 6.57903 9.57499 14.6871 11.8268 12.7237 8.9682 11.2997 13.6334 7.16209 3.97543 numMergedOcc 0
