0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 12.8323 9.87885 8.15894 12.2333 13.2247 5.44992 6.1206 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 12.8323 9.87885 8.45544 12.2333 13.2247 4.74523 6.1206 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 5.72491 5.44992 7.12508 6.1206 8.15894 10.5461 13.2247 10.2446 9.87885 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 7.63133 6.56335 10.454 9.81307 8.43054 15.8645 12.5273 6.92781 16.8689 6.57331 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 5.73819 8.44903 5.48048 4.96926 6.75943 7.15901 10.5523 8.13395 7.05402 6.6263 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.64012 7.27383 6.37648 4.00553 9.08221 6.87028 10.3988 7.5247 7.40296 9.97769 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.64012 7.27383 6.37648 4.00553 9.08221 6.87028 11.221 10.0658 5.89202 9.32706 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 3.9764 5.10496 8.75597 6.48948 9.51923 13.4985 5.92242 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.08437 7.26086 7.32662 3.9764 5.10496 8.75597 6.10456 8.40073 6.934 5.2571 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 5.08437 7.26086 7.32662 3.9764 5.10496 8.75597 10.1136 10.2427 7.17433 8.7497 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 6.48948 7.26086 13.4985 3.9764 5.92242 8.75597 5.08437 9.51923 7.32662 5.10496 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 6.48948 7.26086 13.4985 3.9764 5.92242 8.75597 6.10456 9.42358 6.934 5.2571 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 6.48948 7.26086 13.4985 3.9764 5.92242 8.75597 10.1136 13.9786 7.17433 8.7497 numMergedOcc 0
13 mol 98 unq 6 iso 0 dist 6.10456 7.26086 6.934 10.4782 7.54889 12.2279 17.4071 13.659 20.2105 9.64383 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 6.10456 7.26086 6.934 10.4782 7.54889 12.2279 10.1136 5.02887 7.17433 7.78931 numMergedOcc 0
15 mol 98 unq 8 iso 0 dist 6.10456 7.26086 6.934 3.9764 5.2571 8.75597 5.08437 8.40073 7.32662 5.10496 numMergedOcc 0
16 mol 98 unq 9 iso 0 dist 6.10456 7.26086 6.934 3.9764 5.2571 8.75597 6.48948 9.42358 13.4985 5.92242 numMergedOcc 0
17 mol 98 unq 10 iso 0 dist 6.10456 7.26086 6.934 3.9764 5.2571 8.75597 10.1136 5.02887 7.17433 8.7497 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 8.69985 5.34214 9.14441 5.00433 8.52024 9.78192 13.1098 7.15843 15.5368 9.89083 numMergedOcc 0
19 mol 112 unq 0 iso 0 dist 7.71338 6.43433 8.56707 6.95317 8.47988 4.99604 11.5121 4.8896 10.1567 9.02706 numMergedOcc 0
20 mol 112 unq 1 iso 0 dist 7.71338 6.43433 8.56707 7.57713 8.0427 10.2181 11.5121 4.8896 10.1567 9.39168 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 6.11741 5.74857 6.08806 6.07067 6.39384 10.3973 7.88312 7.69052 7.21418 9.42082 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 7.88312 5.74857 7.21418 6.07067 9.42082 10.3973 6.11741 7.69052 6.08806 6.39384 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 8.73993 7.77116 3.78311 9.68677 7.64052 9.57341 16.4353 9.93257 13.52 8.95212 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 8.73993 7.77116 3.78311 9.68677 7.64052 9.57341 10.3704 4.85907 4.99056 6.99446 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 7.41373 9.33094 5.11043 9.86662 6.81259 5.12325 8.69531 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 6.49416 5.53031 8.46636 12.3479 9.33094 15.5709 12.5075 6.81259 15.2647 8.69531 numMergedOcc 0
27 mol 134 unq 2 iso 0 dist 9.86662 8.20836 5.12325 12.8086 9.1998 6.99345 15.281 11.6064 11.7434 6.42772 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 9.86662 8.20836 5.12325 12.8086 9.1998 6.99345 14.0375 7.09823 6.02179 8.70621 numMergedOcc 0
29 mol 134 unq 4 iso 0 dist 9.86662 8.20836 5.12325 7.41373 8.69531 5.11043 8.94367 6.81259 9.4027 9.33094 numMergedOcc 0
30 mol 152 unq 0 iso 0 dist 5.87555 8.35555 5.59336 4.94983 6.70693 7.1069 10.399 7.65448 7.2238 6.59889 numMergedOcc 0
31 mol 170 unq 0 iso 0 dist 9.76807 8.15099 7.72147 4.78249 9.51256 5.13268 12.8281 8.56034 5.95519 9.08274 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 12.9532 9.76212 16.2165 9.94371 6.01247 15.8842 8.59874 numMergedOcc 0
33 mol 192 unq 0 iso 0 dist 5.59424 7.24199 7.0057 6.35474 5.64942 11.7494 7.00794 5.76246 8.51255 6.97962 numMergedOcc 0
34 mol 192 unq 1 iso 0 dist 5.59424 7.24199 7.0057 5.25965 7.43054 11.7133 7.00794 5.76246 8.51255 6.79229 numMergedOcc 0
35 mol 192 unq 2 iso 0 dist 7.00794 7.24199 8.51255 6.35474 6.97962 11.7494 5.59424 5.76246 7.0057 5.64942 numMergedOcc 0
36 mol 192 unq 3 iso 0 dist 7.00794 7.24199 8.51255 5.25965 6.79229 11.7133 5.59424 5.76246 7.0057 7.43054 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 6.61986 8.37597 4.59567 5.13732 8.08349 8.54702 13.4025 10.3613 9.48743 9.78218 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 7.22101 8.03442 10.5813 5.0317 5.23634 9.43618 8.65997 5.22356 7.22396 6.91318 numMergedOcc 0
39 mol 227 unq 1 iso 0 dist 8.65997 8.03442 7.22396 5.0317 6.91318 9.43618 7.22101 5.22356 10.5813 5.23634 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 7.31233 5.64181 7.83352 10.3162 9.12776 12.1568 19.5656 15.7907 19.8954 9.72188 numMergedOcc 0
41 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 11.8896 7.66153 13.1388 10.3935 4.69778 6.1686 9.07743 numMergedOcc 0
