0 mol 15 unq 0 iso 0 dist 8.38064 8.21493 5.90976 7.07399 4.29582 6.33828 5.49251 9.84471 10.1828 6.23015 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.20519 8.78293 5.31524 7.75618 4.96411 6.2337 8.7083 11.877 10.1716 8.54034 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.20519 8.23643 11.0832 7.75618 4.96411 14.4867 8.7083 11.877 16.2389 8.54034 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 7.20519 7.82528 10.4988 7.75618 4.96411 11.4087 8.7083 11.877 14.7321 8.54034 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 8.4674 6.20943 5.14627 8.40416 9.74255 11.4087 10.4416 13.0732 14.7321 8.54034 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 4.54938 8.78293 10.9543 7.75618 9.74255 6.2337 8.7083 13.0732 10.1716 8.54034 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 4.54938 8.23643 6.55187 7.75618 9.74255 14.4867 8.7083 13.0732 16.2389 8.54034 numMergedOcc 0
7 mol 19 unq 6 iso 0 dist 4.54938 7.82528 5.14627 7.75618 9.74255 11.4087 8.7083 13.0732 14.7321 8.54034 numMergedOcc 0
8 mol 19 unq 7 iso 0 dist 4.51865 6.20943 4.69858 8.40416 7.08342 11.4087 10.4416 12.2354 14.7321 8.54034 numMergedOcc 0
9 mol 19 unq 8 iso 0 dist 6.864 8.78293 11.4401 7.75618 7.08342 6.2337 8.7083 12.2354 10.1716 8.54034 numMergedOcc 0
10 mol 19 unq 9 iso 0 dist 6.864 8.23643 12.3093 7.75618 7.08342 14.4867 8.7083 12.2354 16.2389 8.54034 numMergedOcc 0
11 mol 19 unq 10 iso 0 dist 6.864 7.82528 4.69858 7.75618 7.08342 11.4087 8.7083 12.2354 14.7321 8.54034 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 9.01567 8.67951 13.2265 8.91183 12.5088 16.8819 6.19899 numMergedOcc 0
13 mol 24 unq 1 iso 0 dist 6.86014 9.75144 5.39241 9.01567 8.67951 13.2265 13.0212 15.4457 18.4951 8.49709 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 6.86014 9.75144 5.39241 7.29868 8.52463 13.719 8.91183 12.5088 16.8819 6.61696 numMergedOcc 0
15 mol 24 unq 3 iso 0 dist 6.86014 9.75144 5.39241 7.29868 8.52463 13.719 5.69214 7.95042 11.8884 5.80953 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 6.86465 9.58673 5.92889 8.80614 10.2049 8.88332 11.3019 15.888 15.8814 7.58739 numMergedOcc 0
17 mol 58 unq 1 iso 0 dist 6.86465 9.58673 5.92889 8.80614 10.2049 8.88332 9.87158 13.3281 15.7229 9.01564 numMergedOcc 0
18 mol 58 unq 2 iso 0 dist 6.86465 9.58673 5.92889 8.80614 10.2049 8.88332 5.86526 11.5155 12.8612 7.11065 numMergedOcc 0
19 mol 58 unq 3 iso 0 dist 6.86465 8.63333 6.47744 9.92355 5.78774 12.0055 6.57389 10.2845 13.8436 9.53438 numMergedOcc 0
20 mol 58 unq 4 iso 0 dist 6.62496 9.58673 10.2241 8.80614 9.95364 8.88332 11.3019 13.813 15.8814 7.58739 numMergedOcc 0
21 mol 58 unq 5 iso 0 dist 6.62496 9.58673 10.2241 8.80614 9.95364 8.88332 9.87158 9.22598 15.7229 9.01564 numMergedOcc 0
22 mol 58 unq 6 iso 0 dist 6.62496 9.58673 10.2241 8.80614 9.95364 8.88332 5.86526 9.55996 12.8612 7.11065 numMergedOcc 0
23 mol 58 unq 7 iso 0 dist 6.62496 9.64665 4.67832 5.93884 5.78774 5.27642 4.23671 10.2845 13.4636 9.53438 numMergedOcc 0
24 mol 58 unq 8 iso 0 dist 6.35756 9.58673 7.05413 8.80614 5.49591 8.88332 11.3019 11.2189 15.8814 7.58739 numMergedOcc 0
25 mol 58 unq 9 iso 0 dist 6.35756 9.58673 7.05413 8.80614 5.49591 8.88332 9.87158 8.96727 15.7229 9.01564 numMergedOcc 0
26 mol 58 unq 10 iso 0 dist 6.35756 9.58673 7.05413 8.80614 5.49591 8.88332 5.86526 8.01308 12.8612 7.11065 numMergedOcc 0
27 mol 58 unq 11 iso 0 dist 6.35756 8.89374 6.47744 7.68678 5.78774 12.0055 5.6823 10.2845 13.8436 9.53438 numMergedOcc 0
28 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 9.27838 15.434 4.67641 5.69391 13.6019 5.4605 7.58875 numMergedOcc 0
29 mol 72 unq 1 iso 0 dist 8.8178 6.77912 12.0644 9.27838 15.434 4.67641 5.57624 14.3084 8.94365 9.52749 numMergedOcc 0
30 mol 72 unq 2 iso 0 dist 8.8178 6.77912 12.0644 9.27838 15.434 4.67641 4.03844 12.4827 6.53824 6.91169 numMergedOcc 0
31 mol 72 unq 3 iso 0 dist 9.96708 6.77912 7.11552 9.27838 11.6378 4.67641 5.69391 9.55118 5.4605 7.58875 numMergedOcc 0
32 mol 72 unq 4 iso 0 dist 9.96708 6.77912 7.11552 9.27838 11.6378 4.67641 5.57624 13.641 8.94365 9.52749 numMergedOcc 0
33 mol 72 unq 5 iso 0 dist 9.96708 6.77912 7.11552 9.27838 11.6378 4.67641 4.03844 12.111 6.53824 6.91169 numMergedOcc 0
34 mol 100 unq 0 iso 0 dist 9.60661 6.58204 10.9608 7.01812 5.80144 10.0891 4.03277 8.91882 10.259 6.59691 numMergedOcc 0
35 mol 100 unq 1 iso 0 dist 7.17106 6.58204 5.01145 7.01812 8.4128 10.0891 4.03277 10.5432 10.259 6.59691 numMergedOcc 0
36 mol 100 unq 2 iso 0 dist 9.35224 6.58204 5.69137 7.01812 10.0456 10.0891 4.03277 11.5088 10.259 6.59691 numMergedOcc 0
37 mol 100 unq 3 iso 0 dist 7.47343 7.75343 15.209 8.30845 12.2861 10.0891 6.23008 9.76432 10.259 6.59691 numMergedOcc 0
38 mol 100 unq 4 iso 0 dist 6.65086 7.75343 10.9608 8.30845 5.80144 10.0891 6.23008 8.91882 10.259 6.59691 numMergedOcc 0
39 mol 100 unq 5 iso 0 dist 6.56369 7.75343 5.69137 8.30845 10.0456 10.0891 6.23008 11.5088 10.259 6.59691 numMergedOcc 0
40 mol 100 unq 6 iso 0 dist 9.30209 7.75343 9.21622 8.30845 6.70236 10.0891 6.23008 11.6812 10.259 6.59691 numMergedOcc 0
41 mol 109 unq 0 iso 0 dist 8.69985 5.87358 9.46098 7.80523 7.74599 6.89298 5.00433 8.52024 9.74008 7.56755 numMergedOcc 0
42 mol 119 unq 0 iso 0 dist 6.18601 9.80862 9.35964 6.73586 5.13589 4.95807 4.39676 8.95212 9.56225 8.67537 numMergedOcc 0
43 mol 119 unq 1 iso 0 dist 6.18601 8.43904 10.3457 6.73586 5.13589 7.39626 4.39676 8.95212 6.13374 8.67537 numMergedOcc 0
44 mol 155 unq 0 iso 0 dist 6.43582 9.38946 12.8482 7.92304 5.50031 9.50478 4.91785 8.97626 7.29911 9.16358 numMergedOcc 0
45 mol 155 unq 1 iso 0 dist 6.43582 7.36102 8.27726 7.92304 5.50031 5.50045 4.91785 8.97626 5.36254 9.16358 numMergedOcc 0
46 mol 181 unq 0 iso 0 dist 7.81386 4.93785 6.7991 9.39829 7.20191 7.30555 5.71898 9.01624 6.76746 5.99437 numMergedOcc 0
47 mol 181 unq 1 iso 0 dist 7.81386 4.93785 6.7991 9.39829 7.20191 7.30555 5.83796 9.55105 8.92098 8.4848 numMergedOcc 0
48 mol 181 unq 2 iso 0 dist 7.81386 7.98142 9.53462 5.94469 7.77758 8.93991 5.42158 9.81178 13.3069 8.06308 numMergedOcc 0
49 mol 181 unq 3 iso 0 dist 7.81386 7.37327 11.1462 5.94469 7.77758 5.35588 5.42158 9.81178 11.4308 8.06308 numMergedOcc 0
50 mol 181 unq 4 iso 0 dist 7.63312 6.93764 4.80231 5.9176 5.63555 5.60306 10.6474 6.64173 10.9785 8.12266 numMergedOcc 0
51 mol 181 unq 5 iso 0 dist 7.63312 6.93764 4.80231 5.9176 5.63555 5.60306 5.12833 9.55105 10.9567 9.43306 numMergedOcc 0
52 mol 181 unq 6 iso 0 dist 7.63312 6.93764 4.80231 5.9176 5.63555 5.60306 4.61184 11.7785 11.187 8.59681 numMergedOcc 0
53 mol 181 unq 7 iso 0 dist 7.63312 6.93764 4.80231 6.41453 7.20191 6.05477 5.93724 9.01624 10.1634 5.99437 numMergedOcc 0
54 mol 181 unq 8 iso 0 dist 7.63312 6.93764 4.80231 6.41453 7.20191 6.05477 5.12833 9.55105 10.9567 8.4848 numMergedOcc 0
55 mol 181 unq 9 iso 0 dist 7.63312 7.98142 9.60512 5.94469 12.5387 8.93991 5.42158 10.6106 13.3069 8.06308 numMergedOcc 0
56 mol 181 unq 10 iso 0 dist 7.63312 7.37327 13.3389 5.94469 12.5387 5.35588 5.42158 10.6106 11.4308 8.06308 numMergedOcc 0
57 mol 182 unq 0 iso 0 dist 9.31746 6.73313 11.1088 6.73956 7.68794 5.8726 4.88992 13.5224 5.73635 8.62102 numMergedOcc 0
58 mol 222 unq 0 iso 0 dist 8.01589 6.82208 4.8892 7.67576 10.3151 7.39748 6.84862 14.4477 11.8745 8.43195 numMergedOcc 0
59 mol 222 unq 1 iso 0 dist 8.01589 6.82208 4.8892 7.67576 10.3151 7.39748 9.53117 16.3082 12.9858 8.23406 numMergedOcc 0
60 mol 222 unq 2 iso 0 dist 7.7699 6.82208 11.0074 7.67576 7.81022 7.39748 6.84862 10.0233 11.8745 8.43195 numMergedOcc 0
61 mol 222 unq 3 iso 0 dist 7.7699 6.82208 11.0074 7.67576 7.81022 7.39748 9.53117 11.839 12.9858 8.23406 numMergedOcc 0
62 mol 222 unq 4 iso 0 dist 7.21333 6.82208 12.2813 7.67576 7.75656 7.39748 6.84862 5.56538 11.8745 8.43195 numMergedOcc 0
63 mol 222 unq 5 iso 0 dist 7.21333 6.82208 12.2813 7.67576 7.75656 7.39748 9.53117 7.48954 12.9858 8.23406 numMergedOcc 0
64 mol 234 unq 0 iso 0 dist 8.41436 6.16063 11.3297 7.32499 10.7902 7.17691 13.1872 17.3846 9.11572 7.77911 numMergedOcc 0
65 mol 234 unq 1 iso 0 dist 8.92474 6.16063 10.2563 7.32499 4.4288 7.17691 13.1872 11.3419 9.11572 7.77911 numMergedOcc 0
