0 mol 8 unq 0 iso 0 dist 6.82379 9.6474 8.3997 5.7531 7.12263 10.9871 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.82379 9.6474 8.3997 11.0223 5.00267 8.2127 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.24978 6.6137 8.3997 4.88215 7.12263 10.9871 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 6.24978 6.6137 8.3997 6.80407 5.00267 8.2127 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 9.66439 11.1937 8.3997 6.36434 7.12263 10.9871 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 9.66439 11.1937 8.3997 8.44094 5.00267 8.2127 numMergedOcc 0
6 mol 8 unq 6 iso 0 dist 7.8922 5.92151 7.14096 5.02333 5.00267 5.90317 numMergedOcc 0
7 mol 8 unq 7 iso 0 dist 7.3915 13.6649 8.3997 8.79272 7.12263 10.9871 numMergedOcc 0
8 mol 8 unq 8 iso 0 dist 7.3915 13.6649 8.3997 6.32152 5.00267 8.2127 numMergedOcc 0
9 mol 9 unq 0 iso 0 dist 7.05346 4.86982 7.51584 6.119 5.55437 9.75319 numMergedOcc 0
10 mol 13 unq 0 iso 0 dist 5.78148 14.0479 8.81649 10.9884 9.10587 11.149 numMergedOcc 0
11 mol 13 unq 1 iso 0 dist 6.26071 10.9117 8.81649 7.39275 9.10587 11.149 numMergedOcc 0
12 mol 13 unq 2 iso 0 dist 8.43325 7.43378 8.81649 7.82977 9.10587 11.149 numMergedOcc 0
13 mol 28 unq 0 iso 0 dist 7.28416 8.44949 8.32784 4.74049 9.72965 9.43898 numMergedOcc 0
14 mol 28 unq 1 iso 0 dist 7.28416 8.44949 8.32784 10.2179 5.63315 5.6204 numMergedOcc 0
15 mol 28 unq 2 iso 0 dist 7.28416 8.44949 8.32784 7.01194 9.8465 5.90967 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 5.88354 5.68803 8.12456 10.7735 7.63183 14.4004 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 7.89665 8.28823 8.12456 9.38161 7.63183 14.4004 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 5.39354 5.8011 8.12456 10.5878 7.63183 14.4004 numMergedOcc 0
19 mol 98 unq 3 iso 0 dist 5.74854 5.68885 8.12456 13.1711 7.63183 14.4004 numMergedOcc 0
20 mol 98 unq 4 iso 0 dist 8.76566 11.4897 8.12456 7.42291 7.63183 14.4004 numMergedOcc 0
21 mol 98 unq 5 iso 0 dist 8.8368 14.0498 8.12456 8.01486 7.63183 14.4004 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 7.77116 11.3981 9.69257 4.91132 8.03035 12.831 numMergedOcc 0
23 mol 119 unq 1 iso 0 dist 7.77116 11.3981 9.69257 6.08167 7.6968 5.57116 numMergedOcc 0
24 mol 154 unq 0 iso 0 dist 7.72144 15.8067 9.79706 11.0347 9.71408 8.97556 numMergedOcc 0
25 mol 154 unq 1 iso 0 dist 7.72144 12.4119 9.31487 11.0347 9.71408 11.5706 numMergedOcc 0
26 mol 171 unq 0 iso 0 dist 9.11712 10.5348 6.03843 8.26419 9.75627 6.66209 numMergedOcc 0
27 mol 175 unq 0 iso 0 dist 6.4318 5.32538 9.24943 4.24624 8.31961 5.84597 numMergedOcc 0
28 mol 225 unq 0 iso 0 dist 8.87609 9.42631 5.40513 11.5135 6.53728 9.78929 numMergedOcc 0
29 mol 235 unq 0 iso 0 dist 6.39158 9.82715 8.44085 5.72331 9.81305 12.3727 numMergedOcc 0
30 mol 235 unq 1 iso 0 dist 6.39158 9.82715 8.44085 8.33772 6.89118 9.20685 numMergedOcc 0
31 mol 235 unq 2 iso 0 dist 7.75722 8.64305 8.44085 12.6437 9.81305 12.3727 numMergedOcc 0
32 mol 235 unq 3 iso 0 dist 7.75722 8.64305 8.44085 5.70265 6.89118 9.20685 numMergedOcc 0
33 mol 237 unq 0 iso 0 dist 9.4811 11.4517 6.6655 6.46131 7.31113 10.1701 numMergedOcc 0
34 mol 237 unq 1 iso 0 dist 9.4811 11.4517 6.6655 6.89616 8.10263 13.6003 numMergedOcc 0
35 mol 237 unq 2 iso 0 dist 9.4811 11.4517 6.6655 7.36499 6.45845 9.83186 numMergedOcc 0
36 mol 237 unq 3 iso 0 dist 9.4811 11.4517 6.6655 10.2142 9.53139 4.34139 numMergedOcc 0
37 mol 237 unq 4 iso 0 dist 6.50471 5.16634 6.6655 9.59927 7.31113 10.1701 numMergedOcc 0
38 mol 237 unq 5 iso 0 dist 6.50471 5.16634 6.6655 10.7975 8.10263 13.6003 numMergedOcc 0
39 mol 237 unq 6 iso 0 dist 6.50471 5.16634 6.6655 5.63225 6.45845 9.83186 numMergedOcc 0
40 mol 237 unq 7 iso 0 dist 6.50471 5.16634 6.6655 5.12181 9.53139 4.34139 numMergedOcc 0
41 mol 264 unq 0 iso 0 dist 7.52281 12.1058 9.15844 4.48907 5.74568 11.5313 numMergedOcc 0
42 mol 264 unq 1 iso 0 dist 6.42588 7.76042 9.15844 10.1591 5.74568 11.5313 numMergedOcc 0
43 mol 264 unq 2 iso 0 dist 6.04162 8.59461 6.74637 6.84156 5.74568 6.49604 numMergedOcc 0
44 mol 264 unq 3 iso 0 dist 6.14323 11.697 6.74637 9.37297 5.74568 6.49604 numMergedOcc 0
45 mol 294 unq 0 iso 0 dist 7.91611 6.14573 9.99503 6.21267 7.41079 6.06402 numMergedOcc 0
