0 mol 7 unq 0 iso 0 dist 8.41585 9.87885 12.8323 13.2247 12.2333 6.1206 10.2446 7.88043 8.15894 5.44992 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 9.87885 12.8323 13.2247 12.2333 6.1206 12.3097 8.80762 8.45544 4.74523 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 6.1206 7.12508 13.2247 10.5461 9.87885 5.44992 5.72491 8.15894 10.2446 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.10621 6.1206 7.12508 13.2247 10.5461 9.87885 4.74523 9.67579 8.45544 12.3097 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 9.62879 9.01112 7.12261 10.9495 10.9634 6.56356 7.17012 11.2076 8.83742 5.7531 numMergedOcc 0
5 mol 8 unq 1 iso 0 dist 9.62879 9.01112 7.12261 6.23795 12.4058 7.62333 7.17012 11.2076 8.83742 6.31881 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 5.73819 6.75943 4.96926 8.13395 10.5523 6.6263 5.48048 8.44903 7.15901 7.05402 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.80331 6.6263 5.41726 8.13395 6.20293 6.75943 7.05402 10.0649 7.15901 5.48048 numMergedOcc 0
8 mol 43 unq 2 iso 0 dist 6.20293 6.75943 5.41726 8.13395 8.80331 6.6263 5.48048 10.0649 7.15901 7.05402 numMergedOcc 0
9 mol 43 unq 3 iso 0 dist 8.93915 6.75943 10.0383 8.13395 14.7803 6.6263 5.48048 13.5072 7.15901 7.05402 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 6.64012 9.08221 4.00553 7.5247 10.3988 9.97769 6.37648 7.27383 6.87028 7.40296 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 6.64012 9.08221 4.00553 10.0658 11.221 9.32706 6.37648 7.27383 6.87028 5.89202 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 9.4099 9.08221 8.55984 7.5247 11.9025 9.97769 6.37648 12.5444 6.87028 7.40296 numMergedOcc 0
13 mol 58 unq 3 iso 0 dist 9.4099 9.08221 8.55984 10.0658 14.7109 9.32706 6.37648 12.5444 6.87028 5.89202 numMergedOcc 0
14 mol 88 unq 0 iso 0 dist 9.36773 7.80898 12.1193 12.1547 16.8013 7.51139 5.31226 12.1018 8.72458 9.14315 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 9.51923 6.48948 5.92242 7.32662 7.26086 8.75597 13.4985 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 5.08437 5.10496 3.9764 9.51923 6.48948 5.92242 12.3881 12.285 9.18457 7.89505 numMergedOcc 0
17 mol 98 unq 2 iso 0 dist 5.08437 5.10496 3.9764 8.40073 6.10456 5.2571 7.32662 7.26086 8.75597 6.934 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 5.08437 5.10496 3.9764 8.40073 6.10456 5.2571 12.3881 12.285 9.18457 13.1975 numMergedOcc 0
19 mol 98 unq 4 iso 0 dist 5.08437 5.10496 3.9764 10.2427 10.1136 8.7497 7.32662 7.26086 8.75597 7.17433 numMergedOcc 0
20 mol 98 unq 5 iso 0 dist 5.08437 5.10496 3.9764 10.2427 10.1136 8.7497 12.3881 12.285 9.18457 15.9953 numMergedOcc 0
21 mol 98 unq 6 iso 0 dist 6.48948 5.92242 3.9764 9.51923 5.08437 5.10496 13.4985 7.26086 8.75597 7.32662 numMergedOcc 0
22 mol 98 unq 7 iso 0 dist 6.48948 5.92242 3.9764 9.51923 5.08437 5.10496 7.89505 12.285 9.18457 12.3881 numMergedOcc 0
23 mol 98 unq 8 iso 0 dist 6.48948 5.92242 3.9764 9.42358 6.10456 5.2571 13.4985 7.26086 8.75597 6.934 numMergedOcc 0
24 mol 98 unq 9 iso 0 dist 6.48948 5.92242 3.9764 9.42358 6.10456 5.2571 7.89505 12.285 9.18457 13.1975 numMergedOcc 0
25 mol 98 unq 10 iso 0 dist 6.48948 5.92242 3.9764 13.9786 10.1136 8.7497 13.4985 7.26086 8.75597 7.17433 numMergedOcc 0
26 mol 98 unq 11 iso 0 dist 6.48948 5.92242 3.9764 13.9786 10.1136 8.7497 7.89505 12.285 9.18457 15.9953 numMergedOcc 0
27 mol 98 unq 12 iso 0 dist 6.10456 7.54889 10.4782 13.659 17.4071 9.64383 13.9572 15.6191 6.83746 8.76845 numMergedOcc 0
28 mol 98 unq 13 iso 0 dist 6.10456 7.54889 10.4782 13.659 17.4071 9.64383 13.1975 12.285 9.14707 11.7715 numMergedOcc 0
29 mol 98 unq 14 iso 0 dist 6.10456 7.54889 10.4782 5.02887 10.1136 7.78931 13.9572 15.6191 6.83746 14.5341 numMergedOcc 0
30 mol 98 unq 15 iso 0 dist 6.10456 7.54889 10.4782 5.02887 10.1136 7.78931 13.1975 12.285 9.14707 15.9953 numMergedOcc 0
31 mol 98 unq 16 iso 0 dist 6.10456 5.2571 3.9764 8.40073 5.08437 5.10496 6.934 7.26086 8.75597 7.32662 numMergedOcc 0
32 mol 98 unq 17 iso 0 dist 6.10456 5.2571 3.9764 8.40073 5.08437 5.10496 13.1975 12.285 9.18457 12.3881 numMergedOcc 0
33 mol 98 unq 18 iso 0 dist 6.10456 5.2571 3.9764 9.42358 6.48948 5.92242 6.934 7.26086 8.75597 13.4985 numMergedOcc 0
34 mol 98 unq 19 iso 0 dist 6.10456 5.2571 3.9764 9.42358 6.48948 5.92242 13.1975 12.285 9.18457 7.89505 numMergedOcc 0
35 mol 98 unq 20 iso 0 dist 6.10456 5.2571 3.9764 5.02887 10.1136 8.7497 6.934 7.26086 8.75597 7.17433 numMergedOcc 0
36 mol 98 unq 21 iso 0 dist 6.10456 5.2571 3.9764 5.02887 10.1136 8.7497 13.1975 12.285 9.18457 15.9953 numMergedOcc 0
37 mol 112 unq 0 iso 0 dist 7.71338 8.47988 6.95317 4.8896 11.5121 9.02706 8.56707 6.43433 4.99604 10.1567 numMergedOcc 0
38 mol 119 unq 0 iso 0 dist 8.73993 7.64052 9.68677 9.93257 16.4353 8.95212 3.78311 7.77116 9.57341 13.52 numMergedOcc 0
39 mol 119 unq 1 iso 0 dist 8.73993 7.64052 9.68677 4.85907 10.3704 6.99446 3.78311 7.77116 9.57341 4.99056 numMergedOcc 0
40 mol 119 unq 2 iso 0 dist 9.87172 6.99446 6.20019 10.9871 13.9919 8.95212 4.99056 13.1741 9.57341 13.52 numMergedOcc 0
41 mol 119 unq 3 iso 0 dist 9.87172 6.99446 6.20019 4.85907 12.6489 7.64052 4.99056 13.1741 9.57341 3.78311 numMergedOcc 0
42 mol 119 unq 4 iso 0 dist 6.18601 8.95212 4.39676 10.9871 10.1813 6.99446 13.52 12.6868 9.57341 4.99056 numMergedOcc 0
43 mol 119 unq 5 iso 0 dist 6.18601 8.95212 4.39676 9.93257 9.72413 7.64052 13.52 12.6868 9.57341 3.78311 numMergedOcc 0
44 mol 134 unq 0 iso 0 dist 8.94367 9.33094 7.41373 6.81259 9.86662 8.69531 9.4027 8.20836 5.11043 5.12325 numMergedOcc 0
45 mol 134 unq 1 iso 0 dist 6.37586 9.33094 10.8635 6.81259 9.71307 8.69531 9.4027 10.873 5.11043 5.12325 numMergedOcc 0
46 mol 134 unq 2 iso 0 dist 6.49416 9.33094 12.3479 6.81259 12.5075 8.69531 9.4027 13.846 5.11043 5.12325 numMergedOcc 0
47 mol 134 unq 3 iso 0 dist 9.86662 9.1998 12.8086 11.6064 15.281 6.42772 5.12325 8.20836 6.99345 11.7434 numMergedOcc 0
48 mol 134 unq 4 iso 0 dist 9.86662 9.1998 12.8086 7.09823 14.0375 8.70621 5.12325 8.20836 6.99345 6.02179 numMergedOcc 0
49 mol 134 unq 5 iso 0 dist 9.86662 8.69531 7.41373 6.81259 8.94367 9.33094 5.12325 8.20836 5.11043 9.4027 numMergedOcc 0
50 mol 134 unq 6 iso 0 dist 9.71307 9.1998 15.0225 11.6064 15.6507 6.42772 5.12325 10.873 6.99345 11.7434 numMergedOcc 0
51 mol 134 unq 7 iso 0 dist 9.71307 9.1998 15.0225 7.09823 15.9508 8.70621 5.12325 10.873 6.99345 6.02179 numMergedOcc 0
52 mol 134 unq 8 iso 0 dist 9.71307 8.69531 10.8635 6.81259 6.37586 9.33094 5.12325 10.873 5.11043 9.4027 numMergedOcc 0
53 mol 152 unq 0 iso 0 dist 5.87555 6.70693 4.94983 7.65448 10.399 6.59889 5.59336 8.35555 7.1069 7.2238 numMergedOcc 0
54 mol 152 unq 1 iso 0 dist 8.56324 6.59889 5.39112 7.65448 6.70283 6.70693 7.2238 10.4911 7.1069 5.59336 numMergedOcc 0
55 mol 152 unq 2 iso 0 dist 6.70283 6.70693 5.39112 7.65448 8.56324 6.59889 5.59336 10.4911 7.1069 7.2238 numMergedOcc 0
56 mol 152 unq 3 iso 0 dist 8.67331 6.70693 9.67475 7.65448 14.1618 6.59889 5.59336 13.0858 7.1069 7.2238 numMergedOcc 0
57 mol 170 unq 0 iso 0 dist 9.76807 9.51256 4.78249 8.56034 12.8281 9.08274 7.72147 8.15099 5.13268 5.95519 numMergedOcc 0
58 mol 224 unq 0 iso 0 dist 6.61986 8.08349 5.13732 10.3613 13.4025 9.78218 4.59567 8.37597 8.54702 9.48743 numMergedOcc 0
59 mol 227 unq 0 iso 0 dist 7.22101 5.23634 5.0317 5.22356 8.65997 6.91318 10.5813 8.03442 9.43618 7.22396 numMergedOcc 0
60 mol 227 unq 1 iso 0 dist 8.65997 6.91318 5.0317 5.22356 7.22101 5.23634 7.22396 8.03442 9.43618 10.5813 numMergedOcc 0
61 mol 227 unq 2 iso 0 dist 7.09863 5.23634 5.83175 5.22356 10.8157 6.91318 10.5813 12.2278 9.43618 7.22396 numMergedOcc 0
62 mol 234 unq 0 iso 0 dist 9.45496 7.81215 12.4252 10.2693 17.458 5.64285 11.113 18.9709 9.08151 5.52595 numMergedOcc 0
63 mol 234 unq 1 iso 0 dist 6.7625 7.81215 5.75498 10.2693 10.701 5.64285 11.113 11.968 9.08151 5.52595 numMergedOcc 0
64 mol 238 unq 0 iso 0 dist 5.72887 9.72188 7.06793 15.7907 14.6111 9.12776 10.7551 11.2809 6.53286 11.0349 numMergedOcc 0
65 mol 238 unq 1 iso 0 dist 7.31233 9.12776 10.3162 15.7907 19.5656 9.72188 11.0349 11.9624 6.53286 10.7551 numMergedOcc 0
66 mol 239 unq 0 iso 0 dist 6.16342 6.73665 10.6736 11.347 16.5158 9.34438 13.1624 18.6283 8.88763 5.75834 numMergedOcc 0
67 mol 239 unq 1 iso 0 dist 6.16342 6.73665 10.6736 11.347 16.5158 9.34438 7.34872 13.3923 6.43209 7.5231 numMergedOcc 0
68 mol 239 unq 2 iso 0 dist 6.16342 6.73665 10.6736 11.347 16.5158 9.34438 8.9361 13.1682 8.48769 14.4518 numMergedOcc 0
69 mol 239 unq 3 iso 0 dist 6.16342 6.73665 10.6736 7.97994 13.7154 9.35949 13.1624 18.6283 8.88763 10.7034 numMergedOcc 0
70 mol 239 unq 4 iso 0 dist 6.16342 6.73665 10.6736 7.97994 13.7154 9.35949 7.34872 13.3923 6.43209 4.15997 numMergedOcc 0
71 mol 239 unq 5 iso 0 dist 6.16342 6.73665 10.6736 7.97994 13.7154 9.35949 8.9361 13.1682 8.48769 5.66218 numMergedOcc 0
72 mol 264 unq 0 iso 0 dist 9.17653 8.29262 10.7813 4.92077 13.4025 9.19754 9.37297 15.2775 6.02757 6.84156 numMergedOcc 0
