0 mol 43 unq 0 iso 0 dist 8.54999 12.4431 9.76585 6.81531 8.84944 6.95983 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.54999 12.4431 9.76585 10.5856 7.21995 11.3999 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.25196 6.11542 9.70196 6.39129 8.16246 4.64745 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 8.88159 6.11542 9.25341 6.39129 9.48823 4.64745 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 7.85826 14.9118 9.82294 7.26196 5.66803 7.89444 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 7.85826 14.9118 9.82294 7.27834 8.85416 18.0124 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 9.43192 4.90661 8.62244 9.5944 7.15248 10.5984 numMergedOcc 0
7 mol 67 unq 1 iso 0 dist 9.43192 4.90661 8.62244 6.26086 8.43162 9.67456 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 7.63813 5.19612 8.92491 8.65163 5.73235 8.04327 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 7.63813 5.19612 8.92491 11.1941 7.48127 14.685 numMergedOcc 0
10 mol 76 unq 2 iso 0 dist 7.63813 9.45571 7.41861 8.65163 5.73235 7.7047 numMergedOcc 0
11 mol 76 unq 3 iso 0 dist 7.63813 9.45571 7.41861 11.1941 7.48127 4.00834 numMergedOcc 0
12 mol 83 unq 0 iso 0 dist 9.90769 10.6504 6.77845 15.5212 7.2118 9.39588 numMergedOcc 0
13 mol 83 unq 1 iso 0 dist 9.90769 6.65429 5.48555 15.5212 7.2118 12.0034 numMergedOcc 0
14 mol 83 unq 2 iso 0 dist 9.90769 9.4696 5.39805 15.5212 7.2118 6.61275 numMergedOcc 0
15 mol 103 unq 0 iso 0 dist 9.42064 5.34511 8.75165 9.45543 6.79959 7.3651 numMergedOcc 0
16 mol 116 unq 0 iso 0 dist 7.09179 10.0549 9.62357 8.38134 6.61973 15.1223 numMergedOcc 0
17 mol 116 unq 1 iso 0 dist 9.31875 16.0497 9.62357 5.88698 6.61973 15.1223 numMergedOcc 0
18 mol 132 unq 0 iso 0 dist 9.20977 6.32317 8.72039 6.84485 9.39389 7.53392 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 8.61918 7.49664 6.9268 13.2228 5.79195 8.75242 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 8.61918 7.49664 6.9268 15.392 9.2759 14.0828 numMergedOcc 0
21 mol 133 unq 2 iso 0 dist 8.61918 7.49664 6.9268 15.6785 8.76088 15.4372 numMergedOcc 0
22 mol 133 unq 3 iso 0 dist 8.61918 14.1334 8.19166 13.2228 5.79195 6.45333 numMergedOcc 0
23 mol 133 unq 4 iso 0 dist 8.61918 14.1334 8.19166 15.392 9.2759 11.5586 numMergedOcc 0
24 mol 133 unq 5 iso 0 dist 8.61918 14.1334 8.19166 15.6785 8.76088 14.3705 numMergedOcc 0
25 mol 147 unq 0 iso 0 dist 9.89646 10.7499 5.47265 12.352 5.32865 7.75436 numMergedOcc 0
26 mol 147 unq 1 iso 0 dist 9.9332 9.53448 5.47265 10.4422 5.32865 7.75436 numMergedOcc 0
27 mol 158 unq 0 iso 0 dist 6.33118 3.39334 8.80952 8.85571 9.96635 11.2678 numMergedOcc 0
28 mol 183 unq 0 iso 0 dist 6.23903 5.27994 6.0782 7.14992 8.97652 5.66126 numMergedOcc 0
29 mol 183 unq 1 iso 0 dist 8.22495 7.86281 7.67623 10.0544 8.29364 10.7145 numMergedOcc 0
30 mol 183 unq 2 iso 0 dist 8.22495 10.7207 7.99897 10.0544 8.29364 4.0252 numMergedOcc 0
31 mol 183 unq 3 iso 0 dist 8.22495 5.50571 7.58913 10.0544 8.29364 5.66126 numMergedOcc 0
32 mol 183 unq 4 iso 0 dist 8.39603 5.50571 6.0782 10.0544 8.97652 5.66126 numMergedOcc 0
33 mol 189 unq 0 iso 0 dist 9.46859 6.08239 9.01418 6.34597 9.47321 10.2802 numMergedOcc 0
34 mol 189 unq 1 iso 0 dist 9.46859 6.08239 9.01418 4.50095 6.38294 4.79488 numMergedOcc 0
35 mol 192 unq 0 iso 0 dist 8.27545 11.9796 9.78743 4.2039 6.2016 13.2525 numMergedOcc 0
36 mol 233 unq 0 iso 0 dist 9.34605 14.0636 8.01777 5.89872 6.9103 12.4724 numMergedOcc 0
37 mol 239 unq 0 iso 0 dist 6.77267 7.74816 4.53228 4.20175 8.26312 10.9464 numMergedOcc 0
38 mol 239 unq 1 iso 0 dist 6.77267 7.74816 4.53228 4.43495 7.58554 6.54316 numMergedOcc 0
39 mol 239 unq 2 iso 0 dist 6.77267 6.45423 8.54078 4.20175 8.26312 10.4394 numMergedOcc 0
40 mol 239 unq 3 iso 0 dist 6.77267 6.45423 8.54078 4.43495 7.58554 6.2497 numMergedOcc 0
41 mol 258 unq 0 iso 0 dist 6.77021 9.56613 8.53084 9.76099 7.53199 4.80942 numMergedOcc 0
42 mol 258 unq 1 iso 0 dist 6.77021 9.56613 8.53084 5.83092 8.58092 11.0749 numMergedOcc 0
43 mol 258 unq 2 iso 0 dist 6.77021 9.56613 8.53084 5.09024 7.40014 5.81432 numMergedOcc 0
44 mol 258 unq 3 iso 0 dist 6.77021 3.89286 5.9223 9.76099 7.53199 10.1932 numMergedOcc 0
45 mol 258 unq 4 iso 0 dist 6.77021 3.89286 5.9223 5.83092 8.58092 9.26732 numMergedOcc 0
46 mol 258 unq 5 iso 0 dist 6.77021 3.89286 5.9223 5.09024 7.40014 6.72414 numMergedOcc 0
47 mol 265 unq 0 iso 0 dist 6.64109 11.3601 8.5774 10.9011 7.52632 7.53666 numMergedOcc 0
48 mol 265 unq 1 iso 0 dist 6.64109 14.6525 9.94957 10.9011 7.52632 4.47698 numMergedOcc 0
49 mol 265 unq 2 iso 0 dist 6.64109 13.3527 8.01664 10.9011 7.52632 5.62902 numMergedOcc 0
50 mol 265 unq 3 iso 0 dist 8.57593 10.9464 8.5774 10.0903 7.52632 7.53666 numMergedOcc 0
51 mol 265 unq 4 iso 0 dist 8.57593 14.3021 9.94957 10.0903 7.52632 4.47698 numMergedOcc 0
52 mol 265 unq 5 iso 0 dist 8.57593 13.514 8.01664 10.0903 7.52632 5.62902 numMergedOcc 0
53 mol 279 unq 0 iso 0 dist 9.87771 15.2458 9.16172 15.2194 7.83793 6.04816 numMergedOcc 0
54 mol 294 unq 0 iso 0 dist 5.25409 7.07706 9.4943 4.06072 6.37998 5.71611 numMergedOcc 0
55 mol 294 unq 1 iso 0 dist 5.25409 7.07706 9.4943 5.29391 9.77023 7.88101 numMergedOcc 0
