0 mol 24 unq 0 iso 0 dist 7.86009 14.9943 8.86116 13.1266 8.38394 6.44287 16.6223 10.0952 6.86014 12.5077 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 7.84098 10.9752 7.2846 5.97638 7.58835 8.81358 10.4102 5.24762 6.43774 11.2563 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 6.71137 4.50067 7.71095 6.56803 6.85766 10.0246 12.5293 12.5396 8.84665 17.79 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 6.71137 4.50067 7.71095 6.56803 6.85766 10.0246 9.76242 8.19458 8.25513 14.0127 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 9.60343 5.30537 6.65595 6.62554 9.25011 4.73512 13.7079 6.54743 8.90863 10.0828 numMergedOcc 0
5 mol 60 unq 1 iso 0 dist 9.60343 5.30537 6.65595 10.7956 6.43294 10.6819 13.7079 6.54743 8.90863 11.5843 numMergedOcc 0
6 mol 60 unq 2 iso 0 dist 9.60343 5.30537 6.65595 7.87461 8.52121 8.93946 13.7079 6.54743 8.90863 12.4757 numMergedOcc 0
7 mol 60 unq 3 iso 0 dist 9.60343 10.7956 6.43294 5.30537 6.65595 10.6819 18.3775 10.1562 8.33063 16.4714 numMergedOcc 0
8 mol 60 unq 4 iso 0 dist 9.60343 10.7956 6.43294 5.30537 6.65595 10.6819 14.8208 5.67502 8.7531 11.1899 numMergedOcc 0
9 mol 60 unq 5 iso 0 dist 9.60343 10.7956 6.43294 6.62554 9.25011 11.3621 18.3775 10.1562 8.33063 17.3965 numMergedOcc 0
10 mol 60 unq 6 iso 0 dist 9.60343 10.7956 6.43294 6.62554 9.25011 11.3621 14.8208 5.67502 8.7531 12.4656 numMergedOcc 0
11 mol 60 unq 7 iso 0 dist 9.60343 10.7956 6.43294 7.87461 8.52121 5.51199 18.3775 10.1562 8.33063 13.1051 numMergedOcc 0
12 mol 60 unq 8 iso 0 dist 9.60343 10.7956 6.43294 7.87461 8.52121 5.51199 14.8208 5.67502 8.7531 11.6311 numMergedOcc 0
13 mol 60 unq 9 iso 0 dist 6.58196 5.88526 6.65595 8.583 9.25011 4.73512 12.2272 6.54743 8.90863 10.0828 numMergedOcc 0
14 mol 60 unq 10 iso 0 dist 6.58196 5.88526 6.65595 7.64117 6.43294 10.6819 12.2272 6.54743 8.90863 11.5843 numMergedOcc 0
15 mol 60 unq 11 iso 0 dist 6.58196 5.88526 6.65595 7.13836 8.52121 8.93946 12.2272 6.54743 8.90863 12.4757 numMergedOcc 0
16 mol 60 unq 12 iso 0 dist 6.58196 7.64117 6.43294 5.88526 6.65595 10.6819 14.8839 10.1562 8.33063 16.4714 numMergedOcc 0
17 mol 60 unq 13 iso 0 dist 6.58196 7.64117 6.43294 5.88526 6.65595 10.6819 12.1151 5.67502 8.7531 11.1899 numMergedOcc 0
18 mol 60 unq 14 iso 0 dist 6.58196 7.64117 6.43294 8.583 9.25011 11.3621 14.8839 10.1562 8.33063 17.3965 numMergedOcc 0
19 mol 60 unq 15 iso 0 dist 6.58196 7.64117 6.43294 8.583 9.25011 11.3621 12.1151 5.67502 8.7531 12.4656 numMergedOcc 0
20 mol 60 unq 16 iso 0 dist 6.58196 7.64117 6.43294 7.13836 8.52121 5.51199 14.8839 10.1562 8.33063 13.1051 numMergedOcc 0
21 mol 60 unq 17 iso 0 dist 6.58196 7.64117 6.43294 7.13836 8.52121 5.51199 12.1151 5.67502 8.7531 11.6311 numMergedOcc 0
22 mol 60 unq 18 iso 0 dist 9.51311 10.5884 6.43294 3.88612 8.33063 10.1562 16.2308 10.6819 6.65595 16.4714 numMergedOcc 0
23 mol 60 unq 19 iso 0 dist 9.51311 10.5884 6.43294 3.88612 8.33063 10.1562 16.3591 11.3621 9.25011 17.3965 numMergedOcc 0
24 mol 60 unq 20 iso 0 dist 9.51311 10.5884 6.43294 3.88612 8.33063 10.1562 13.0319 5.51199 8.52121 13.1051 numMergedOcc 0
25 mol 60 unq 21 iso 0 dist 9.51311 10.5884 6.43294 6.34274 8.7531 5.67502 16.2308 10.6819 6.65595 11.1899 numMergedOcc 0
26 mol 60 unq 22 iso 0 dist 9.51311 10.5884 6.43294 6.34274 8.7531 5.67502 16.3591 11.3621 9.25011 12.4656 numMergedOcc 0
27 mol 60 unq 23 iso 0 dist 9.51311 10.5884 6.43294 6.34274 8.7531 5.67502 13.0319 5.51199 8.52121 11.6311 numMergedOcc 0
28 mol 73 unq 0 iso 0 dist 7.10826 12.5046 9.96396 13.0428 9.38498 15.7123 10.8452 5.4148 6.19304 10.2049 numMergedOcc 0
29 mol 73 unq 1 iso 0 dist 7.10826 12.5046 9.96396 13.0428 9.38498 15.7123 12.7852 14.9342 8.70481 20.257 numMergedOcc 0
30 mol 73 unq 2 iso 0 dist 7.10826 12.5046 9.96396 4.51799 9.75218 12.016 10.8452 5.4148 6.19304 11.6369 numMergedOcc 0
31 mol 73 unq 3 iso 0 dist 7.10826 12.5046 9.96396 4.51799 9.75218 12.016 12.7852 14.9342 8.70481 10.1207 numMergedOcc 0
32 mol 85 unq 0 iso 0 dist 9.21974 4.98767 7.47541 7.47375 7.66905 5.42586 11.9953 6.9948 7.97049 6.19965 numMergedOcc 0
33 mol 85 unq 1 iso 0 dist 9.21974 4.98767 7.47541 6.7801 5.73196 6.87425 11.9953 6.9948 7.97049 11.2656 numMergedOcc 0
34 mol 85 unq 2 iso 0 dist 9.21974 7.47375 7.66905 4.98767 7.47541 5.42586 15.0336 10.7229 7.95579 11.3023 numMergedOcc 0
35 mol 85 unq 3 iso 0 dist 9.21974 7.47375 7.66905 4.98767 7.47541 5.42586 11.9953 6.9948 6.19965 7.97049 numMergedOcc 0
36 mol 85 unq 4 iso 0 dist 9.21974 7.47375 7.66905 6.7801 5.73196 10.1164 15.0336 10.7229 7.95579 15.309 numMergedOcc 0
37 mol 85 unq 5 iso 0 dist 9.21974 7.47375 7.66905 6.7801 5.73196 10.1164 11.9953 6.9948 6.19965 11.2656 numMergedOcc 0
38 mol 100 unq 0 iso 0 dist 7.92708 4.43203 9.60661 12.5527 7.17106 11.5403 5.1385 5.88134 6.65086 10.5134 numMergedOcc 0
39 mol 100 unq 1 iso 0 dist 7.92708 4.43203 9.60661 9.84997 9.35224 7.80879 5.1385 5.88134 6.65086 6.56369 numMergedOcc 0
40 mol 100 unq 2 iso 0 dist 7.92708 9.84997 9.35224 4.43203 9.60661 7.80879 5.1385 5.88134 6.56369 6.65086 numMergedOcc 0
41 mol 100 unq 3 iso 0 dist 7.92708 9.84997 9.35224 12.5527 7.17106 8.87654 5.1385 5.88134 6.56369 10.5134 numMergedOcc 0
42 mol 100 unq 4 iso 0 dist 5.1385 5.96628 7.47343 4.43203 6.65086 8.8807 6.26262 5.33144 6.45675 10.1409 numMergedOcc 0
43 mol 100 unq 5 iso 0 dist 5.1385 5.96628 7.47343 4.43203 6.65086 8.8807 12.8865 10.1407 8.86688 14.9102 numMergedOcc 0
44 mol 100 unq 6 iso 0 dist 5.1385 5.96628 7.47343 9.84997 6.56369 12.6515 6.26262 5.33144 6.45675 11.8665 numMergedOcc 0
45 mol 100 unq 7 iso 0 dist 5.1385 5.96628 7.47343 9.84997 6.56369 12.6515 12.8865 10.1407 8.86688 13.6959 numMergedOcc 0
46 mol 100 unq 8 iso 0 dist 5.1385 5.96628 7.47343 9.21424 9.30209 13.887 6.26262 5.33144 6.45675 13.912 numMergedOcc 0
47 mol 100 unq 9 iso 0 dist 5.1385 5.96628 7.47343 9.21424 9.30209 13.887 12.8865 10.1407 8.86688 18.2109 numMergedOcc 0
48 mol 100 unq 10 iso 0 dist 5.1385 4.43203 6.65086 5.96628 7.47343 8.8807 7.92708 5.88134 9.60661 12.0662 numMergedOcc 0
49 mol 100 unq 11 iso 0 dist 5.1385 4.43203 6.65086 9.84997 6.56369 7.80879 7.92708 5.88134 9.60661 9.35224 numMergedOcc 0
50 mol 100 unq 12 iso 0 dist 5.1385 4.43203 6.65086 9.21424 9.30209 5.38414 7.92708 5.88134 9.60661 10.5853 numMergedOcc 0
51 mol 100 unq 13 iso 0 dist 5.1385 9.84997 6.56369 5.96628 7.47343 12.6515 7.92708 5.88134 9.35224 12.0662 numMergedOcc 0
52 mol 100 unq 14 iso 0 dist 5.1385 9.84997 6.56369 4.43203 6.65086 7.80879 7.92708 5.88134 9.35224 9.60661 numMergedOcc 0
53 mol 100 unq 15 iso 0 dist 5.1385 9.84997 6.56369 9.21424 9.30209 6.39938 7.92708 5.88134 9.35224 10.5853 numMergedOcc 0
54 mol 100 unq 16 iso 0 dist 4.86758 9.59578 7.47343 9.60547 6.45675 5.33144 11.7039 8.8807 6.65086 10.1409 numMergedOcc 0
55 mol 100 unq 17 iso 0 dist 4.86758 9.59578 7.47343 9.60547 6.45675 5.33144 13.295 12.6515 6.56369 11.8665 numMergedOcc 0
56 mol 100 unq 18 iso 0 dist 4.86758 9.59578 7.47343 9.60547 6.45675 5.33144 15.9765 13.887 9.30209 13.912 numMergedOcc 0
57 mol 100 unq 19 iso 0 dist 4.86758 9.59578 7.47343 5.92453 8.86688 10.1407 11.7039 8.8807 6.65086 14.9102 numMergedOcc 0
58 mol 100 unq 20 iso 0 dist 4.86758 9.59578 7.47343 5.92453 8.86688 10.1407 13.295 12.6515 6.56369 13.6959 numMergedOcc 0
59 mol 100 unq 21 iso 0 dist 4.86758 9.59578 7.47343 5.92453 8.86688 10.1407 15.9765 13.887 9.30209 18.2109 numMergedOcc 0
60 mol 115 unq 0 iso 0 dist 6.62424 11.3434 6.90986 9.09842 5.39945 5.67807 15.8317 10.498 7.11972 11.8863 numMergedOcc 0
61 mol 117 unq 0 iso 0 dist 8.08241 13.9096 7.90328 8.25965 9.84395 13.1058 13.4159 7.22206 7.83136 16.5575 numMergedOcc 0
62 mol 117 unq 1 iso 0 dist 8.08241 13.9096 7.90328 8.25965 9.84395 13.1058 17.3251 9.3584 7.0603 17.163 numMergedOcc 0
63 mol 142 unq 0 iso 0 dist 8.60866 10.051 9.2313 5.56494 5.31024 5.32922 12.2357 5.50998 7.73169 7.26382 numMergedOcc 0
64 mol 142 unq 1 iso 0 dist 8.60866 10.051 9.2313 5.56494 5.31024 5.32922 15.9028 11.1395 8.96657 11.0824 numMergedOcc 0
65 mol 142 unq 2 iso 0 dist 8.60866 5.56494 5.31024 10.051 9.2313 5.32922 12.2357 5.50998 7.26382 7.73169 numMergedOcc 0
66 mol 253 unq 0 iso 0 dist 8.77809 8.48607 8.31064 4.39307 7.32223 7.25988 11.4601 8.02948 6.73034 11.6434 numMergedOcc 0
