0 mol 7 unq 0 iso 0 dist 6.36911 9.68596 13.0969 5.03847 9.97624 6.14469 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.85412 9.62394 4.45625 16.147 11.7976 7.35972 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.85412 9.62394 4.45625 19.4709 13.8392 9.93542 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 6.33889 9.62394 6.0397 16.147 11.6997 7.35972 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 6.33889 9.62394 6.0397 19.4709 14.5309 9.93542 numMergedOcc 0
5 mol 9 unq 4 iso 0 dist 9.87449 8.64915 10.9409 4.98827 11.621 7.35972 numMergedOcc 0
6 mol 9 unq 5 iso 0 dist 9.87449 8.17347 8.50857 4.98827 11.621 9.93542 numMergedOcc 0
7 mol 11 unq 0 iso 0 dist 9.53002 6.35398 7.5901 10.9183 8.73067 7.98326 numMergedOcc 0
8 mol 11 unq 1 iso 0 dist 9.53002 6.35398 7.5901 9.99434 13.873 7.90478 numMergedOcc 0
9 mol 15 unq 0 iso 0 dist 9.29358 5.89412 6.19131 9.75966 6.50647 6.03257 numMergedOcc 0
10 mol 15 unq 1 iso 0 dist 8.21493 7.07399 6.33828 4.39605 10.0974 6.03257 numMergedOcc 0
11 mol 19 unq 0 iso 0 dist 8.78293 7.75618 6.2337 4.97119 13.1234 9.95212 numMergedOcc 0
12 mol 19 unq 1 iso 0 dist 8.23643 7.75618 14.4867 4.97119 11.3136 9.95212 numMergedOcc 0
13 mol 19 unq 2 iso 0 dist 6.20943 8.40416 11.4087 4.64838 5.82366 9.95212 numMergedOcc 0
14 mol 19 unq 3 iso 0 dist 7.82528 7.75618 11.4087 4.97119 5.82366 9.95212 numMergedOcc 0
15 mol 19 unq 4 iso 0 dist 8.58657 6.41423 5.90856 7.08342 7.02548 9.95212 numMergedOcc 0
16 mol 24 unq 0 iso 0 dist 9.75144 7.33768 5.90981 6.66749 13.2857 8.00171 numMergedOcc 0
17 mol 24 unq 1 iso 0 dist 9.75144 9.01567 13.2265 6.66749 13.2857 4.2121 numMergedOcc 0
18 mol 24 unq 2 iso 0 dist 9.75144 7.29868 13.719 6.66749 13.2857 6.72323 numMergedOcc 0
19 mol 26 unq 0 iso 0 dist 8.82012 6.46104 4.98603 7.23703 11.8125 6.93197 numMergedOcc 0
20 mol 32 unq 0 iso 0 dist 8.68559 7.99969 7.14527 10.8897 12.7733 8.5315 numMergedOcc 0
21 mol 100 unq 0 iso 0 dist 6.58204 7.01812 10.0891 10.6848 11.9163 9.5057 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 7.75343 8.30845 10.0891 15.3454 11.9163 9.5057 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 8.6355 7.80532 14.1488 5.71679 8.73604 6.40575 numMergedOcc 0
24 mol 156 unq 0 iso 0 dist 6.88137 8.73722 5.69209 6.14767 7.30946 5.41575 numMergedOcc 0
25 mol 156 unq 1 iso 0 dist 6.88137 8.73722 5.69209 12.212 11.3161 6.86566 numMergedOcc 0
26 mol 156 unq 2 iso 0 dist 7.36119 7.30357 11.9671 5.81563 6.05323 8.21184 numMergedOcc 0
27 mol 156 unq 3 iso 0 dist 7.36119 7.30357 11.9671 5.52796 9.81983 5.41575 numMergedOcc 0
28 mol 156 unq 4 iso 0 dist 7.36119 8.61587 8.69711 5.81563 6.05323 5.9976 numMergedOcc 0
29 mol 156 unq 5 iso 0 dist 7.36119 8.61587 8.69711 5.52796 9.81983 6.86566 numMergedOcc 0
30 mol 156 unq 6 iso 0 dist 9.36805 9.44367 10.143 5.71511 10.735 8.37434 numMergedOcc 0
31 mol 156 unq 7 iso 0 dist 6.27641 9.4013 5.05683 5.4555 5.81122 8.37434 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 7.20046 9.72611 9.87435 12.7358 14.6631 7.22883 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 7.20046 7.99195 4.69841 12.2164 11.913 7.32087 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 7.20046 7.99195 4.69841 5.77299 10.0659 8.86197 numMergedOcc 0
35 mol 181 unq 3 iso 0 dist 7.13543 9.72611 14.6648 12.7358 17.8119 7.22883 numMergedOcc 0
36 mol 181 unq 4 iso 0 dist 7.13543 7.99195 7.23063 12.2164 11.5642 7.32087 numMergedOcc 0
37 mol 181 unq 5 iso 0 dist 7.13543 7.99195 7.23063 5.77299 6.32777 8.86197 numMergedOcc 0
38 mol 181 unq 6 iso 0 dist 6.93764 5.9176 5.60306 6.29863 9.93639 7.22883 numMergedOcc 0
39 mol 181 unq 7 iso 0 dist 7.98142 5.94469 8.93991 9.69409 17.0683 9.92471 numMergedOcc 0
40 mol 181 unq 8 iso 0 dist 7.37327 5.94469 5.35588 9.69409 13.2307 9.92471 numMergedOcc 0
41 mol 184 unq 0 iso 0 dist 9.52936 6.42735 7.4793 8.08596 12.1114 7.54099 numMergedOcc 0
42 mol 194 unq 0 iso 0 dist 6.47873 8.65535 10.7231 11.6598 11.4415 6.1886 numMergedOcc 0
43 mol 194 unq 1 iso 0 dist 5.48258 6.72379 4.26755 7.11753 8.52969 6.38324 numMergedOcc 0
44 mol 194 unq 2 iso 0 dist 6.15769 6.72379 10.0315 7.11753 12.9874 6.38324 numMergedOcc 0
45 mol 232 unq 0 iso 0 dist 7.07392 8.50102 10.9886 6.2188 7.10413 9.78181 numMergedOcc 0
46 mol 232 unq 1 iso 0 dist 7.07392 8.50102 10.9886 12.3508 12.9353 9.8664 numMergedOcc 0
47 mol 235 unq 0 iso 0 dist 5.65339 6.21292 7.96337 7.77516 6.54825 6.94789 numMergedOcc 0
48 mol 235 unq 1 iso 0 dist 9.43058 9.21736 17.5445 11.7254 19.8998 6.94789 numMergedOcc 0
49 mol 238 unq 0 iso 0 dist 9.90142 8.69104 15.6823 8.1195 17.5954 5.92374 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 6.05141 8.94014 11.5793 5.50308 6.73446 5.92374 numMergedOcc 0
51 mol 238 unq 2 iso 0 dist 8.14172 7.02333 4.38002 7.11984 6.62002 5.92374 numMergedOcc 0
52 mol 238 unq 3 iso 0 dist 8.09066 7.02333 11.5793 7.11984 6.73446 5.92374 numMergedOcc 0
53 mol 238 unq 4 iso 0 dist 6.77463 8.67864 4.38002 7.95232 6.62002 5.92374 numMergedOcc 0
54 mol 238 unq 5 iso 0 dist 7.2766 8.67864 11.5793 7.95232 6.73446 5.92374 numMergedOcc 0
55 mol 249 unq 0 iso 0 dist 8.83735 5.48118 10.639 9.0676 16.1595 5.9627 numMergedOcc 0
56 mol 274 unq 0 iso 0 dist 9.19234 9.45514 12.625 6.52035 14.1967 7.75216 numMergedOcc 0
57 mol 274 unq 1 iso 0 dist 9.19234 6.39866 4.60275 6.16703 11.4246 6.88827 numMergedOcc 0
58 mol 274 unq 2 iso 0 dist 9.19234 6.39866 4.60275 5.64601 9.20749 9.16942 numMergedOcc 0
59 mol 284 unq 0 iso 0 dist 4.86729 6.78191 6.76453 4.50325 6.61376 7.34931 numMergedOcc 0
60 mol 287 unq 0 iso 0 dist 7.04472 6.89451 4.481 7.83813 10.785 6.95912 numMergedOcc 0
61 mol 287 unq 1 iso 0 dist 6.4778 6.89451 12.237 7.83813 13.4945 6.95912 numMergedOcc 0
62 mol 288 unq 0 iso 0 dist 7.04472 6.89451 4.481 7.83813 10.785 6.95912 numMergedOcc 0
63 mol 288 unq 1 iso 0 dist 6.4778 6.89451 12.237 7.83813 13.4945 6.95912 numMergedOcc 0
64 mol 289 unq 0 iso 0 dist 7.04472 6.89451 4.481 7.83813 10.785 6.95912 numMergedOcc 0
65 mol 289 unq 1 iso 0 dist 6.4778 6.89451 12.237 7.83813 13.4945 6.95912 numMergedOcc 0
