0 mol 24 unq 0 iso 0 dist 6.11056 6.40447 8.09311 3.96014 9.05357 9.95274 8.94703 4.79736 7.77964 12.1034 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.40051 6.29702 4.79873 13.591 9.48085 12.7147 5.77745 5.63212 7.44277 10.156 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.6396 5.23233 6.55597 10.0172 7.52933 6.53015 5.77745 6.47509 8.07318 11.842 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.6396 5.23233 6.55597 13.5673 9.71956 9.19736 5.77745 6.47509 8.07318 13.5069 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.6396 5.23233 6.55597 10.4709 7.07751 5.78812 5.77745 6.47509 8.07318 10.9998 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 8.6396 5.23233 6.55597 12.2787 8.23761 7.36721 5.77745 6.47509 8.07318 13.599 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 8.6396 5.23233 6.55597 13.591 9.49421 12.1732 5.77745 6.47509 8.07318 10.156 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.06168 10.8798 5.61588 13.9003 8.72682 9.76138 13.7119 5.9144 8.46627 9.94443 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.06168 10.8798 5.61588 8.88868 6.45841 3.32668 13.7119 5.9144 8.46627 10.7236 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 8.06168 10.8798 5.61588 13.7267 7.83244 5.30471 13.7119 5.9144 8.46627 9.22208 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 8.06168 13.7267 7.83244 13.9003 8.72682 5.81659 13.7119 5.9144 9.22208 9.94443 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 8.06168 13.7267 7.83244 8.88868 6.45841 8.07648 13.7119 5.9144 9.22208 10.7236 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 8.06168 13.7267 7.83244 10.8798 5.61588 5.30471 13.7119 5.9144 9.22208 8.46627 numMergedOcc 0
13 mol 73 unq 6 iso 0 dist 8.67532 10.8441 5.61588 17.2466 8.72682 9.76138 9.762 5.9144 8.46627 9.94443 numMergedOcc 0
14 mol 73 unq 7 iso 0 dist 8.67532 10.8441 5.61588 10.2047 6.45841 3.32668 9.762 5.9144 8.46627 10.7236 numMergedOcc 0
15 mol 73 unq 8 iso 0 dist 8.67532 10.8441 5.61588 15.2203 7.83244 5.30471 9.762 5.9144 8.46627 9.22208 numMergedOcc 0
16 mol 73 unq 9 iso 0 dist 8.67532 15.2203 7.83244 17.2466 8.72682 5.81659 9.762 5.9144 9.22208 9.94443 numMergedOcc 0
17 mol 73 unq 10 iso 0 dist 8.67532 15.2203 7.83244 10.2047 6.45841 8.07648 9.762 5.9144 9.22208 10.7236 numMergedOcc 0
18 mol 73 unq 11 iso 0 dist 8.67532 15.2203 7.83244 10.8441 5.61588 5.30471 9.762 5.9144 9.22208 8.46627 numMergedOcc 0
19 mol 95 unq 0 iso 0 dist 9.65047 8.55456 9.3948 3.84879 9.74607 8.00584 15.4881 13.086 8.75345 16.2444 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 7.53905 3.78964 5.56994 3.61827 9.05166 5.11 10.9517 6.09562 7.31064 11.6819 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 5.02717 12.6105 9.42082 5.33827 7.69765 11.044 9.5681 6.01673 7.65564 9.0534 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 9.60411 3.76211 7.93372 11.6349 9.33924 11.4107 12.3555 10.8635 8.62504 15.9693 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 8.30654 4.68518 5.40637 9.60065 7.36975 10.1474 12.027 4.78563 9.29944 9.94557 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 9.84952 9.77747 9.01624 7.19461 6.64173 11.196 11.2091 5.42158 9.92831 11.0482 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 9.84952 9.77747 9.01624 10.0615 9.55105 3.55187 11.2091 5.42158 9.92831 12.1187 numMergedOcc 0
26 mol 197 unq 0 iso 0 dist 8.3337 17.2264 9.10817 5.5875 9.73548 16.8666 17.1416 9.61454 6.69042 18.0623 numMergedOcc 0
27 mol 207 unq 0 iso 0 dist 9.18896 9.63192 5.12567 5.10056 6.0563 6.07936 12.034 4.56899 4.76113 9.29133 numMergedOcc 0
28 mol 207 unq 1 iso 0 dist 9.18896 9.63192 5.12567 3.94578 8.1244 10.1734 12.034 4.56899 4.76113 12.1046 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 7.85877 4.91709 5.56538 5.96186 7.48954 3.58181 8.86886 8.34852 8.14294 5.72 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 7.85877 5.96186 7.48954 4.91709 5.56538 3.58181 8.86886 8.34852 5.72 8.14294 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 8.96343 6.17642 5.46926 8.24206 5.13913 3.39114 10.3461 4.40029 7.16209 4.62936 numMergedOcc 0
32 mol 277 unq 1 iso 0 dist 8.96343 8.24206 5.13913 6.17642 5.46926 3.39114 10.3461 4.40029 4.62936 7.16209 numMergedOcc 0
33 mol 277 unq 2 iso 0 dist 9.29635 12.2421 8.9682 12.7269 9.35539 16.9644 11.7453 3.97543 7.16209 13.0595 numMergedOcc 0
34 mol 277 unq 3 iso 0 dist 9.29635 12.2421 8.9682 10.9521 6.92711 3.39114 11.7453 3.97543 7.16209 4.62936 numMergedOcc 0
35 mol 277 unq 4 iso 0 dist 9.29635 10.9521 6.92711 12.7269 9.35539 15.8851 11.7453 3.97543 4.62936 13.0595 numMergedOcc 0
36 mol 277 unq 5 iso 0 dist 9.29635 10.9521 6.92711 12.2421 8.9682 3.39114 11.7453 3.97543 4.62936 7.16209 numMergedOcc 0
