0 mol 11 unq 0 iso 0 dist 9.53002 10.9183 8.73067 14.7815 8.05213 5.96346 15.1065 9.58844 6.859 4.10106 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 9.80108 4.96411 7.02548 10.4091 6.74265 8.40416 11.877 4.01494 8.54034 10.4416 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 9.80108 4.96411 7.02548 7.20519 5.5841 7.75618 11.877 4.01494 8.54034 8.7083 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 8.58657 7.08342 7.02548 4.51865 6.74265 8.40416 12.2354 4.01494 8.54034 10.4416 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 8.58657 7.08342 7.02548 6.864 5.5841 7.75618 12.2354 4.01494 8.54034 8.7083 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 8.81638 9.62267 7.6481 18.1669 13.9007 8.80614 12.5445 4.39445 7.58739 11.3019 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 8.81638 9.62267 7.6481 18.1669 13.9007 8.80614 16.6126 10.7557 9.01564 9.87158 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 8.81638 9.62267 7.6481 18.1669 13.9007 8.80614 15.5317 9.1083 7.11065 5.86526 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 8.63333 10.2049 9.11258 6.86465 6.47744 8.80614 15.888 13.2208 7.58739 11.3019 numMergedOcc 0
9 mol 58 unq 4 iso 0 dist 8.63333 10.2049 9.11258 6.86465 6.47744 8.80614 13.3281 14.6599 9.01564 9.87158 numMergedOcc 0
10 mol 58 unq 5 iso 0 dist 8.63333 10.2049 9.11258 6.86465 6.47744 8.80614 11.5155 9.47022 7.11065 5.86526 numMergedOcc 0
11 mol 58 unq 6 iso 0 dist 8.89374 5.49591 9.11258 6.35756 6.47744 8.80614 11.2189 13.2208 7.58739 11.3019 numMergedOcc 0
12 mol 58 unq 7 iso 0 dist 8.89374 5.49591 9.11258 6.35756 6.47744 8.80614 8.96727 14.6599 9.01564 9.87158 numMergedOcc 0
13 mol 58 unq 8 iso 0 dist 8.89374 5.49591 9.11258 6.35756 6.47744 8.80614 8.01308 9.47022 7.11065 5.86526 numMergedOcc 0
14 mol 58 unq 9 iso 0 dist 6.46761 5.85698 9.11258 10.3224 6.47744 8.80614 11.7132 13.2208 7.58739 11.3019 numMergedOcc 0
15 mol 58 unq 10 iso 0 dist 6.46761 5.85698 9.11258 10.3224 6.47744 8.80614 14.4498 14.6599 9.01564 9.87158 numMergedOcc 0
16 mol 58 unq 11 iso 0 dist 6.46761 5.85698 9.11258 10.3224 6.47744 8.80614 10.6166 9.47022 7.11065 5.86526 numMergedOcc 0
17 mol 58 unq 12 iso 0 dist 9.73139 12.2123 9.11258 15.4557 6.47744 8.80614 17.8156 13.2208 7.58739 11.3019 numMergedOcc 0
18 mol 58 unq 13 iso 0 dist 9.73139 12.2123 9.11258 15.4557 6.47744 8.80614 20.9029 14.6599 9.01564 9.87158 numMergedOcc 0
19 mol 58 unq 14 iso 0 dist 9.73139 12.2123 9.11258 15.4557 6.47744 8.80614 16.7574 9.47022 7.11065 5.86526 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 8.70133 5.11416 7.10439 9.96396 7.41074 9.24757 12.2276 6.10063 8.96616 6.20232 numMergedOcc 0
21 mol 73 unq 1 iso 0 dist 8.70133 5.11416 7.10439 9.96396 7.41074 9.24757 9.73086 6.15714 6.14542 5.70116 numMergedOcc 0
22 mol 73 unq 2 iso 0 dist 5.64598 8.44406 7.10439 11.4799 7.41074 9.24757 11.6739 6.10063 8.96616 6.20232 numMergedOcc 0
23 mol 73 unq 3 iso 0 dist 5.64598 8.44406 7.10439 11.4799 7.41074 9.24757 10.9476 6.15714 6.14542 5.70116 numMergedOcc 0
24 mol 73 unq 4 iso 0 dist 4.65521 6.56633 7.10439 6.19304 7.41074 9.24757 8.68662 6.10063 8.96616 6.20232 numMergedOcc 0
25 mol 73 unq 5 iso 0 dist 4.65521 6.56633 7.10439 6.19304 7.41074 9.24757 7.4369 6.15714 6.14542 5.70116 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 8.79571 4.57832 8.73604 11.9139 10.1448 7.69991 7.21868 5.67107 9.0176 12.847 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 8.79571 4.57832 8.73604 8.94367 5.41704 6.23142 7.21868 5.67107 9.0176 8.06642 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 8.79571 4.57832 8.73604 9.86662 6.17103 9.94764 7.21868 5.67107 9.0176 4.00092 numMergedOcc 0
29 mol 134 unq 3 iso 0 dist 5.42582 5.29786 8.73604 9.5126 10.1448 7.69991 7.93372 5.67107 9.0176 12.847 numMergedOcc 0
30 mol 134 unq 4 iso 0 dist 5.42582 5.29786 8.73604 6.37586 5.41704 6.23142 7.93372 5.67107 9.0176 8.06642 numMergedOcc 0
31 mol 134 unq 5 iso 0 dist 5.42582 5.29786 8.73604 9.71307 6.17103 9.94764 7.93372 5.67107 9.0176 4.00092 numMergedOcc 0
32 mol 134 unq 6 iso 0 dist 8.6355 5.71679 8.73604 6.54501 10.1448 7.69991 11.988 5.67107 9.0176 12.847 numMergedOcc 0
33 mol 134 unq 7 iso 0 dist 8.6355 5.71679 8.73604 6.49416 5.41704 6.23142 11.988 5.67107 9.0176 8.06642 numMergedOcc 0
34 mol 134 unq 8 iso 0 dist 8.6355 5.71679 8.73604 12.5075 6.17103 9.94764 11.988 5.67107 9.0176 4.00092 numMergedOcc 0
35 mol 143 unq 0 iso 0 dist 7.31468 10.0059 6.46089 10.6877 6.01455 7.78652 10.9972 4.38322 5.06564 4.78563 numMergedOcc 0
36 mol 143 unq 1 iso 0 dist 7.7056 8.57817 6.46089 12.7524 6.01455 7.78652 10.7327 4.38322 5.06564 4.78563 numMergedOcc 0
37 mol 155 unq 0 iso 0 dist 7.16254 10.4923 9.0529 12.1555 5.48883 8.69157 12.9034 12.0485 9.24038 12.6999 numMergedOcc 0
38 mol 155 unq 1 iso 0 dist 7.16254 10.4923 9.0529 13.5605 9.36596 6.53347 12.9034 12.0485 9.24038 7.10286 numMergedOcc 0
39 mol 155 unq 2 iso 0 dist 9.86313 11.0769 9.80845 10.2463 6.34186 7.92304 12.9034 4.48516 9.16358 4.91785 numMergedOcc 0
40 mol 155 unq 3 iso 0 dist 9.86313 10.4923 7.55196 12.1555 8.78665 8.69157 12.9034 4.48516 9.24038 12.6999 numMergedOcc 0
41 mol 155 unq 4 iso 0 dist 9.86313 10.4923 7.55196 13.5605 5.40375 6.53347 12.9034 4.48516 9.24038 7.10286 numMergedOcc 0
42 mol 155 unq 5 iso 0 dist 9.14392 6.89781 9.0529 12.3052 5.48883 8.69157 8.97626 12.0485 9.24038 12.6999 numMergedOcc 0
43 mol 155 unq 6 iso 0 dist 9.14392 6.89781 9.0529 10.7829 9.36596 6.53347 8.97626 12.0485 9.24038 7.10286 numMergedOcc 0
44 mol 155 unq 7 iso 0 dist 7.51198 5.50031 9.80845 6.43582 6.34186 7.92304 8.97626 4.48516 9.16358 4.91785 numMergedOcc 0
45 mol 155 unq 8 iso 0 dist 7.51198 6.89781 7.55196 12.3052 8.78665 8.69157 8.97626 4.48516 9.24038 12.6999 numMergedOcc 0
46 mol 155 unq 9 iso 0 dist 7.51198 6.89781 7.55196 10.7829 5.40375 6.53347 8.97626 4.48516 9.24038 7.10286 numMergedOcc 0
47 mol 181 unq 0 iso 0 dist 7.13543 5.77299 6.32777 10.7062 7.07409 6.59025 10.9279 5.82396 9.88897 6.28125 numMergedOcc 0
48 mol 181 unq 1 iso 0 dist 7.98142 5.63555 5.97685 7.63312 9.60512 5.9176 6.64173 4.48306 8.12266 10.6474 numMergedOcc 0
49 mol 181 unq 2 iso 0 dist 7.98142 5.63555 5.97685 7.63312 9.60512 5.9176 9.55105 10.2172 9.43306 5.12833 numMergedOcc 0
50 mol 181 unq 3 iso 0 dist 7.98142 5.63555 5.97685 7.63312 9.60512 5.9176 11.7785 10.9122 8.59681 4.61184 numMergedOcc 0
51 mol 181 unq 4 iso 0 dist 7.37327 5.63555 8.9289 7.63312 13.3389 5.9176 6.64173 4.88823 8.12266 10.6474 numMergedOcc 0
52 mol 181 unq 5 iso 0 dist 7.37327 5.63555 8.9289 7.63312 13.3389 5.9176 9.55105 14.2334 9.43306 5.12833 numMergedOcc 0
53 mol 181 unq 6 iso 0 dist 7.37327 5.63555 8.9289 7.63312 13.3389 5.9176 11.7785 16.1796 8.59681 4.61184 numMergedOcc 0
54 mol 181 unq 7 iso 0 dist 4.93785 7.77758 7.05653 7.81386 6.7991 5.94469 9.81178 5.82984 8.06308 5.42158 numMergedOcc 0
55 mol 227 unq 0 iso 0 dist 8.17891 10.9607 7.57454 7.22101 6.43754 5.41321 5.23634 4.09934 8.91971 5.0317 numMergedOcc 0
56 mol 227 unq 1 iso 0 dist 6.95902 9.72615 7.57454 8.65997 6.43754 5.41321 6.91318 4.09934 8.91971 5.0317 numMergedOcc 0
57 mol 234 unq 0 iso 0 dist 9.5707 10.0059 7.43663 10.3625 5.9221 7.32499 7.81215 11.8229 7.77911 13.1872 numMergedOcc 0
58 mol 234 unq 1 iso 0 dist 9.39181 5.08515 7.94068 11.0622 13.2297 7.32499 5.64285 6.45373 7.77911 13.1872 numMergedOcc 0
