0 mol 1 unq 0 iso 0 dist 9.72202 5.42625 9.00903 5.0634 6.09918 7.94662 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 6.8464 5.0893 8.41585 11.4481 7.88043 10.2446 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 6.8464 5.0893 8.41585 13.9708 8.80762 12.3097 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 7.73217 4.75873 9.04767 7.68094 9.58855 10.6873 numMergedOcc 0
4 mol 14 unq 1 iso 0 dist 5.99703 6.03847 9.04767 6.45626 9.58855 10.6873 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.80897 12.8257 8.34347 16.1274 8.44506 13.2876 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 8.37225 8.70636 8.34347 13.0741 8.44506 13.2876 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 7.7654 9.47656 8.90863 7.76481 8.82176 13.0114 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.67557 6.53819 7.95579 7.39648 7.33422 6.82174 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 9.67557 9.9705 6.19965 7.39648 7.33422 7.91778 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 9.67557 15.3279 7.66905 7.39648 7.33422 10.121 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 7.11695 14.4144 9.33898 10.9332 6.61823 6.08245 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 7.11695 14.4144 9.33898 8.98815 6.49956 6.86728 numMergedOcc 0
13 mol 92 unq 2 iso 0 dist 7.11695 9.54167 9.64443 10.9332 6.61823 7.24315 numMergedOcc 0
14 mol 92 unq 3 iso 0 dist 7.11695 9.54167 9.64443 8.98815 6.49956 12.163 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 9.41191 12.7291 8.69985 4.70745 5.34214 9.14441 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 9.90769 13.4578 9.60462 7.63956 8.729 11.0629 numMergedOcc 0
17 mol 112 unq 1 iso 0 dist 9.90769 6.69178 7.45389 7.63956 8.729 5.48848 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 8.59695 6.13737 5.83384 7.36759 8.03372 6.67948 numMergedOcc 0
19 mol 129 unq 1 iso 0 dist 6.42706 5.12351 5.83384 7.79894 8.03372 6.67948 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 8.97762 9.74121 6.29155 6.3168 6.76699 5.74088 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 8.86784 5.15251 6.54501 6.20072 5.53031 5.35679 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 8.86784 6.65283 6.49416 6.20072 5.53031 8.46636 numMergedOcc 0
23 mol 134 unq 2 iso 0 dist 9.16358 10.0911 8.94367 11.868 8.20836 9.4027 numMergedOcc 0
24 mol 134 unq 3 iso 0 dist 9.16358 9.66197 9.86662 11.868 8.20836 5.12325 numMergedOcc 0
25 mol 170 unq 0 iso 0 dist 9.32245 6.45787 9.76807 11.0716 8.15099 7.72147 numMergedOcc 0
26 mol 178 unq 0 iso 0 dist 9.63185 14.4816 6.69288 6.80181 4.92088 10.1489 numMergedOcc 0
27 mol 178 unq 1 iso 0 dist 9.63185 10.2893 6.43573 6.80181 4.92088 8.27339 numMergedOcc 0
28 mol 178 unq 2 iso 0 dist 9.63185 9.7684 7.17202 6.80181 4.92088 9.79302 numMergedOcc 0
29 mol 178 unq 3 iso 0 dist 9.63185 5.37264 8.81551 6.80181 4.92088 8.65097 numMergedOcc 0
30 mol 204 unq 0 iso 0 dist 9.44947 10.5243 7.10633 4.80028 6.85441 8.17229 numMergedOcc 0
31 mol 204 unq 1 iso 0 dist 9.44947 10.2677 8.51516 4.80028 6.85441 5.74707 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 7.51951 5.04299 7.26832 6.95682 5.60393 5.28092 numMergedOcc 0
33 mol 206 unq 0 iso 0 dist 8.95375 6.84704 8.02137 11.157 8.70977 6.3188 numMergedOcc 0
34 mol 206 unq 1 iso 0 dist 8.95375 7.72969 9.774 11.157 8.70977 9.9412 numMergedOcc 0
35 mol 206 unq 2 iso 0 dist 9.29007 12.4178 8.02137 7.41593 8.70977 6.3188 numMergedOcc 0
36 mol 206 unq 3 iso 0 dist 9.29007 9.9578 9.774 7.41593 8.70977 9.9412 numMergedOcc 0
37 mol 209 unq 0 iso 0 dist 9.62543 8.42394 7.56373 3.88024 8.41195 4.90038 numMergedOcc 0
38 mol 210 unq 0 iso 0 dist 6.13878 5.4508 6.18308 9.83001 5.37446 9.59996 numMergedOcc 0
39 mol 214 unq 0 iso 0 dist 9.92165 10.1227 9.65138 13.4719 6.38157 7.38025 numMergedOcc 0
40 mol 214 unq 1 iso 0 dist 9.92165 6.83063 7.14453 13.4719 6.38157 9.35273 numMergedOcc 0
41 mol 214 unq 2 iso 0 dist 9.92165 12.7439 8.85478 13.4719 6.38157 5.63388 numMergedOcc 0
42 mol 220 unq 0 iso 0 dist 5.39218 13.3213 9.23153 7.67381 5.45036 6.17628 numMergedOcc 0
43 mol 220 unq 1 iso 0 dist 5.39218 13.3213 9.23153 10.0433 9.97586 14.0253 numMergedOcc 0
44 mol 220 unq 2 iso 0 dist 5.39218 11.4842 8.24498 7.67381 5.45036 10.4136 numMergedOcc 0
45 mol 220 unq 3 iso 0 dist 5.39218 11.4842 8.24498 10.0433 9.97586 6.20511 numMergedOcc 0
46 mol 222 unq 0 iso 0 dist 6.77368 8.47937 6.00706 6.00427 8.48341 6.03524 numMergedOcc 0
47 mol 222 unq 1 iso 0 dist 6.77368 10.4837 7.54212 6.00427 8.48341 7.60395 numMergedOcc 0
48 mol 222 unq 2 iso 0 dist 7.73634 4.81992 6.00706 10.8503 8.48341 6.03524 numMergedOcc 0
49 mol 222 unq 3 iso 0 dist 7.73634 9.69122 7.54212 10.8503 8.48341 7.60395 numMergedOcc 0
50 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 5.86596 8.38865 11.0628 numMergedOcc 0
51 mol 227 unq 1 iso 0 dist 8.27093 10.9533 7.09863 5.86596 8.38865 12.9587 numMergedOcc 0
52 mol 227 unq 2 iso 0 dist 9.02226 10.9396 8.65997 5.86596 5.4694 11.0628 numMergedOcc 0
53 mol 227 unq 3 iso 0 dist 9.78611 9.775 7.55216 6.3262 5.87815 10.6244 numMergedOcc 0
54 mol 234 unq 0 iso 0 dist 5.46736 4.82695 8.34494 9.52353 8.24186 11.7705 numMergedOcc 0
55 mol 234 unq 1 iso 0 dist 5.46736 4.93623 6.56247 9.52353 8.24186 5.63086 numMergedOcc 0
56 mol 234 unq 2 iso 0 dist 5.46736 11.7817 9.36357 9.52353 8.24186 5.6819 numMergedOcc 0
57 mol 236 unq 0 iso 0 dist 7.87233 15.6279 9.81562 15.7632 8.50331 7.22918 numMergedOcc 0
58 mol 236 unq 1 iso 0 dist 7.87233 13.7246 7.68742 15.7632 8.50331 9.05842 numMergedOcc 0
59 mol 236 unq 2 iso 0 dist 7.87233 10.5269 6.27581 15.7632 8.50331 7.00028 numMergedOcc 0
60 mol 258 unq 0 iso 0 dist 7.69358 9.80642 6.97229 11.2853 8.15467 11.6066 numMergedOcc 0
61 mol 258 unq 1 iso 0 dist 9.04358 8.81588 6.60405 9.27882 9.53063 6.6525 numMergedOcc 0
62 mol 258 unq 2 iso 0 dist 9.04358 5.90131 6.42289 9.27882 9.53063 5.27959 numMergedOcc 0
63 mol 261 unq 0 iso 0 dist 7.00833 6.75336 8.45658 7.43942 8.60026 6.04016 numMergedOcc 0
