0 mol 7 unq 0 iso 0 dist 6.36911 9.68596 13.0969 5.03847 9.97624 6.14469 10.6581 15.9584 6.55304 6.02702 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.36911 9.68596 13.0969 5.03847 9.97624 6.14469 10.5461 10.515 6.34041 8.72114 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.85412 9.62394 4.45625 16.147 11.7976 7.35972 15.1483 11.4276 8.50424 7.32257 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.85412 9.62394 4.45625 16.147 11.7976 7.35972 14.896 8.93101 6.02809 6.55811 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 6.85412 9.62394 4.45625 16.147 11.7976 7.35972 13.3648 6.71645 4.98827 8.64915 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 6.85412 9.62394 4.45625 19.4709 13.8392 9.93542 14.896 8.93101 6.02809 7.36018 numMergedOcc 0
6 mol 9 unq 4 iso 0 dist 6.85412 9.62394 4.45625 19.4709 13.8392 9.93542 13.3648 6.71645 4.98827 8.17347 numMergedOcc 0
7 mol 9 unq 5 iso 0 dist 6.33889 9.62394 6.0397 16.147 11.6997 7.35972 15.1483 13.5628 8.50424 7.32257 numMergedOcc 0
8 mol 9 unq 6 iso 0 dist 6.33889 9.62394 6.0397 16.147 11.6997 7.35972 14.896 12.0606 6.02809 6.55811 numMergedOcc 0
9 mol 9 unq 7 iso 0 dist 6.33889 9.62394 6.0397 16.147 11.6997 7.35972 13.3648 9.70649 4.98827 8.64915 numMergedOcc 0
10 mol 9 unq 8 iso 0 dist 6.33889 9.62394 6.0397 19.4709 14.5309 9.93542 14.896 12.0606 6.02809 7.36018 numMergedOcc 0
11 mol 9 unq 9 iso 0 dist 6.33889 9.62394 6.0397 19.4709 14.5309 9.93542 13.3648 9.70649 4.98827 8.17347 numMergedOcc 0
12 mol 9 unq 10 iso 0 dist 9.87449 8.64915 10.9409 4.98827 11.621 7.35972 13.3648 18.9392 16.147 9.62394 numMergedOcc 0
13 mol 9 unq 11 iso 0 dist 9.87449 8.17347 8.50857 4.98827 11.621 9.93542 13.3648 18.9392 19.4709 9.62394 numMergedOcc 0
14 mol 11 unq 0 iso 0 dist 9.53002 6.35398 7.5901 10.9183 8.73067 7.98326 14.7815 8.05213 10.7734 5.96346 numMergedOcc 0
15 mol 15 unq 0 iso 0 dist 9.29358 5.89412 6.19131 9.75966 6.50647 6.03257 11.3543 6.67334 10.1154 6.42748 numMergedOcc 0
16 mol 15 unq 1 iso 0 dist 9.29358 5.89412 6.19131 9.75966 6.50647 6.03257 9.88835 6.29685 4.29582 7.48342 numMergedOcc 0
17 mol 15 unq 2 iso 0 dist 8.21493 7.07399 6.33828 4.39605 10.0974 6.03257 10.6338 15.7594 10.1154 6.42748 numMergedOcc 0
18 mol 15 unq 3 iso 0 dist 8.21493 7.07399 6.33828 4.39605 10.0974 6.03257 8.38064 5.90976 4.29582 7.48342 numMergedOcc 0
19 mol 19 unq 0 iso 0 dist 8.78293 7.75618 6.2337 4.97119 13.1234 9.95212 4.54938 10.9543 9.74255 6.41575 numMergedOcc 0
20 mol 19 unq 1 iso 0 dist 8.78293 7.75618 6.2337 4.97119 13.1234 9.95212 6.864 11.4401 7.08342 6.41423 numMergedOcc 0
21 mol 19 unq 2 iso 0 dist 8.23643 7.75618 14.4867 4.97119 11.3136 9.95212 4.54938 6.55187 9.74255 6.41575 numMergedOcc 0
22 mol 19 unq 3 iso 0 dist 8.23643 7.75618 14.4867 4.97119 11.3136 9.95212 6.864 12.3093 7.08342 6.41423 numMergedOcc 0
23 mol 19 unq 4 iso 0 dist 6.20943 8.40416 11.4087 4.64838 5.82366 9.95212 8.4674 5.14627 9.74255 6.41575 numMergedOcc 0
24 mol 19 unq 5 iso 0 dist 6.20943 8.40416 11.4087 4.64838 5.82366 9.95212 4.51865 4.69858 7.08342 6.41423 numMergedOcc 0
25 mol 19 unq 6 iso 0 dist 7.82528 7.75618 11.4087 4.97119 5.82366 9.95212 4.54938 5.14627 9.74255 6.41575 numMergedOcc 0
26 mol 19 unq 7 iso 0 dist 7.82528 7.75618 11.4087 4.97119 5.82366 9.95212 6.864 4.69858 7.08342 6.41423 numMergedOcc 0
27 mol 19 unq 8 iso 0 dist 8.58657 6.41423 5.90856 7.08342 7.02548 9.95212 4.51865 6.74265 4.64838 8.40416 numMergedOcc 0
28 mol 19 unq 9 iso 0 dist 8.58657 6.41423 5.90856 7.08342 7.02548 9.95212 6.864 5.5841 4.97119 7.75618 numMergedOcc 0
29 mol 24 unq 0 iso 0 dist 9.75144 7.33768 5.90981 6.66749 13.2857 8.00171 6.86014 5.39241 4.32034 9.41441 numMergedOcc 0
30 mol 24 unq 1 iso 0 dist 9.75144 7.33768 5.90981 6.66749 13.2857 8.00171 11.0194 16.6402 11.9112 6.73939 numMergedOcc 0
31 mol 24 unq 2 iso 0 dist 9.75144 9.01567 13.2265 6.66749 13.2857 4.2121 6.86014 5.39241 8.67951 9.41441 numMergedOcc 0
32 mol 24 unq 3 iso 0 dist 9.75144 9.01567 13.2265 6.66749 13.2857 4.2121 11.0194 16.6402 4.50066 6.73939 numMergedOcc 0
33 mol 24 unq 4 iso 0 dist 9.75144 7.29868 13.719 6.66749 13.2857 6.72323 6.86014 5.39241 8.52463 9.41441 numMergedOcc 0
34 mol 24 unq 5 iso 0 dist 9.75144 7.29868 13.719 6.66749 13.2857 6.72323 11.0194 16.6402 5.11617 6.73939 numMergedOcc 0
35 mol 100 unq 0 iso 0 dist 6.58204 7.01812 10.0891 10.6848 11.9163 9.5057 10.1489 14.0755 5.42531 7.80975 numMergedOcc 0
36 mol 100 unq 1 iso 0 dist 6.58204 7.01812 10.0891 10.6848 11.9163 9.5057 7.17106 5.01145 8.4128 7.10378 numMergedOcc 0
37 mol 100 unq 2 iso 0 dist 7.75343 8.30845 10.0891 15.3454 11.9163 9.5057 13.2001 14.0755 5.42531 7.80975 numMergedOcc 0
38 mol 100 unq 3 iso 0 dist 7.75343 8.30845 10.0891 15.3454 11.9163 9.5057 10.5134 5.01145 8.4128 7.10378 numMergedOcc 0
39 mol 134 unq 0 iso 0 dist 8.6355 7.80532 14.1488 5.71679 8.73604 6.40575 6.54501 10.1448 7.41674 7.69991 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 8.6355 7.80532 14.1488 5.71679 8.73604 6.40575 6.49416 5.41704 9.87376 6.23142 numMergedOcc 0
41 mol 134 unq 2 iso 0 dist 8.6355 7.80532 14.1488 5.71679 8.73604 6.40575 12.5075 6.17103 14.9876 9.94764 numMergedOcc 0
42 mol 156 unq 0 iso 0 dist 6.88137 8.73722 5.69209 6.14767 7.30946 5.41575 10.2717 5.07967 5.52796 7.30357 numMergedOcc 0
43 mol 156 unq 1 iso 0 dist 6.88137 8.73722 5.69209 12.212 11.3161 6.86566 10.2717 5.07967 5.52796 8.61587 numMergedOcc 0
44 mol 156 unq 2 iso 0 dist 7.36119 7.30357 11.9671 5.81563 6.05323 8.21184 11.6719 8.31653 10.8404 9.00416 numMergedOcc 0
45 mol 156 unq 3 iso 0 dist 7.36119 7.30357 11.9671 5.52796 9.81983 5.41575 10.2717 16.8595 6.14767 8.73722 numMergedOcc 0
46 mol 156 unq 4 iso 0 dist 7.36119 8.61587 8.69711 5.81563 6.05323 5.9976 11.6719 8.31653 5.18356 9.00416 numMergedOcc 0
47 mol 156 unq 5 iso 0 dist 7.36119 8.61587 8.69711 5.52796 9.81983 6.86566 10.2717 16.8595 12.212 8.73722 numMergedOcc 0
48 mol 156 unq 6 iso 0 dist 9.36805 9.44367 10.143 5.71511 10.735 8.37434 7.44554 6.29785 5.4555 9.4013 numMergedOcc 0
49 mol 156 unq 7 iso 0 dist 6.27641 9.4013 5.05683 5.4555 5.81122 8.37434 7.44554 7.29758 5.71511 9.44367 numMergedOcc 0
50 mol 156 unq 8 iso 0 dist 6.27641 9.4013 5.05683 5.4555 5.81122 8.37434 8.94056 8.67156 6.13574 7.90267 numMergedOcc 0
51 mol 181 unq 0 iso 0 dist 7.20046 9.72611 9.87435 12.7358 14.6631 7.22883 15.333 15.8166 6.29863 5.9176 numMergedOcc 0
52 mol 181 unq 1 iso 0 dist 7.20046 7.99195 4.69841 12.2164 11.913 7.32087 10.7062 10.7112 7.81713 6.46704 numMergedOcc 0
53 mol 181 unq 2 iso 0 dist 7.20046 7.99195 4.69841 5.77299 10.0659 8.86197 10.7062 10.7112 7.81713 6.59025 numMergedOcc 0
54 mol 181 unq 3 iso 0 dist 7.13543 9.72611 14.6648 12.7358 17.8119 7.22883 15.333 20.4849 6.29863 5.9176 numMergedOcc 0
55 mol 181 unq 4 iso 0 dist 7.13543 7.99195 7.23063 12.2164 11.5642 7.32087 10.7062 7.07409 7.81713 6.46704 numMergedOcc 0
56 mol 181 unq 5 iso 0 dist 7.13543 7.99195 7.23063 5.77299 6.32777 8.86197 10.7062 7.07409 7.81713 6.59025 numMergedOcc 0
57 mol 181 unq 6 iso 0 dist 6.93764 5.9176 5.60306 6.29863 9.93639 7.22883 15.333 16.76 12.7358 9.72611 numMergedOcc 0
58 mol 232 unq 0 iso 0 dist 7.07392 8.50102 10.9886 12.3508 12.9353 9.8664 10.5803 14.5897 4.9377 9.05071 numMergedOcc 0
59 mol 238 unq 0 iso 0 dist 9.90142 8.69104 15.6823 8.1195 17.5954 5.92374 13.9668 20.7986 5.50308 8.94014 numMergedOcc 0
60 mol 238 unq 1 iso 0 dist 9.90142 8.69104 15.6823 8.1195 17.5954 5.92374 12.8275 21.1459 7.11984 7.02333 numMergedOcc 0
61 mol 238 unq 2 iso 0 dist 9.90142 8.69104 15.6823 8.1195 17.5954 5.92374 10.7456 17.9809 7.95232 8.67864 numMergedOcc 0
62 mol 238 unq 3 iso 0 dist 6.05141 8.94014 11.5793 5.50308 6.73446 5.92374 13.9668 13.171 8.1195 8.69104 numMergedOcc 0
63 mol 238 unq 4 iso 0 dist 8.14172 7.02333 4.38002 7.11984 6.62002 5.92374 12.8275 5.11565 8.1195 8.69104 numMergedOcc 0
64 mol 238 unq 5 iso 0 dist 8.09066 7.02333 11.5793 7.11984 6.73446 5.92374 12.8275 13.171 8.1195 8.69104 numMergedOcc 0
65 mol 238 unq 6 iso 0 dist 6.77463 8.67864 4.38002 7.95232 6.62002 5.92374 10.7456 5.11565 8.1195 8.69104 numMergedOcc 0
66 mol 238 unq 7 iso 0 dist 7.2766 8.67864 11.5793 7.95232 6.73446 5.92374 10.7456 13.171 8.1195 8.69104 numMergedOcc 0
67 mol 274 unq 0 iso 0 dist 9.19234 6.39866 4.60275 6.16703 11.4246 6.88827 11.3168 6.68358 5.29529 9.85289 numMergedOcc 0
