0 mol 21 unq 0 iso 0 dist 8.38921 6.86154 6.08338 7.298 9.35137 8.37543 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 8.38921 6.86154 6.08338 7.24579 7.81429 7.51251 numMergedOcc 0
2 mol 21 unq 2 iso 0 dist 8.38921 6.86154 6.08338 8.1613 9.39415 5.4965 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.13365 10.7829 9.75144 6.66082 9.61998 5.09339 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 7.34549 7.23551 6.73162 11.7734 7.47201 7.38466 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 8.09068 4.03252 6.73162 5.1872 7.47201 7.38466 numMergedOcc 0
6 mol 26 unq 2 iso 0 dist 9.72289 8.34836 6.73162 5.91061 7.47201 7.38466 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.47617 10.7814 9.83618 4.97991 6.79185 6.17433 numMergedOcc 0
8 mol 75 unq 0 iso 0 dist 8.64872 4.79472 5.15851 4.28491 7.16975 6.23298 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 8.25679 7.09701 9.10189 10.4559 9.30559 4.24369 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 8.09965 9.46933 8.59981 4.85433 5.72373 4.98036 numMergedOcc 0
11 mol 127 unq 1 iso 0 dist 8.09965 6.50291 7.34519 4.85433 5.72373 8.57565 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 8.75736 9.88404 8.94837 5.1707 8.65986 12.3237 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 6.76166 6.15672 8.94837 6.2148 8.65986 12.3237 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 7.94593 11.0605 9.31887 5.0944 5.08591 9.19032 numMergedOcc 0
15 mol 183 unq 0 iso 0 dist 9.09322 6.93732 7.01383 11.1709 7.89803 5.59584 numMergedOcc 0
16 mol 183 unq 1 iso 0 dist 9.60723 4.50779 7.01383 4.82578 7.89803 5.59584 numMergedOcc 0
17 mol 197 unq 0 iso 0 dist 9.14737 7.69844 8.99696 11.8121 8.02386 5.93544 numMergedOcc 0
18 mol 197 unq 1 iso 0 dist 9.14737 7.69844 8.99696 5.18119 6.6259 9.85132 numMergedOcc 0
19 mol 197 unq 2 iso 0 dist 9.14737 15.0242 7.85058 11.8121 8.02386 10.8955 numMergedOcc 0
20 mol 197 unq 3 iso 0 dist 9.14737 15.0242 7.85058 5.18119 6.6259 10.636 numMergedOcc 0
21 mol 197 unq 4 iso 0 dist 9.14737 12.1399 9.96638 11.8121 8.02386 5.28951 numMergedOcc 0
22 mol 197 unq 5 iso 0 dist 9.14737 12.1399 9.96638 5.18119 6.6259 10.698 numMergedOcc 0
23 mol 213 unq 0 iso 0 dist 7.22234 10.6066 6.0965 14.5443 8.29133 10.4683 numMergedOcc 0
24 mol 213 unq 1 iso 0 dist 7.22234 15.6607 9.59129 14.5443 8.29133 8.3461 numMergedOcc 0
25 mol 213 unq 2 iso 0 dist 5.86501 5.56276 6.0965 11.4798 8.29133 10.4683 numMergedOcc 0
26 mol 213 unq 3 iso 0 dist 5.86501 10.1617 9.59129 11.4798 8.29133 8.3461 numMergedOcc 0
27 mol 234 unq 0 iso 0 dist 6.15754 4.48571 6.25105 10.5297 7.72403 6.81789 numMergedOcc 0
28 mol 234 unq 1 iso 0 dist 6.6281 5.91466 6.25105 10.3089 7.72403 6.81789 numMergedOcc 0
29 mol 234 unq 2 iso 0 dist 8.9413 6.40261 9.5707 10.5297 6.35438 10.0213 numMergedOcc 0
30 mol 234 unq 3 iso 0 dist 8.9413 4.48571 7.85175 10.5297 6.35438 6.81789 numMergedOcc 0
31 mol 234 unq 4 iso 0 dist 4.91961 12.2893 9.5707 6.66957 6.35438 10.0213 numMergedOcc 0
32 mol 234 unq 5 iso 0 dist 4.91961 11.1927 7.85175 6.66957 6.35438 6.81789 numMergedOcc 0
33 mol 234 unq 6 iso 0 dist 7.14333 10.3017 9.39181 10.1896 9.07916 4.86801 numMergedOcc 0
34 mol 234 unq 7 iso 0 dist 7.14333 10.3017 9.39181 6.66957 9.57132 5.16504 numMergedOcc 0
35 mol 240 unq 0 iso 0 dist 7.0935 6.65921 6.15305 4.43802 7.55134 7.23992 numMergedOcc 0
36 mol 240 unq 1 iso 0 dist 7.0935 10.6145 8.0951 4.43802 7.55134 7.3073 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 6.20344 12.9748 7.48005 11.7777 7.64122 5.15985 numMergedOcc 0
38 mol 284 unq 0 iso 0 dist 9.12551 10.7029 4.86729 6.3943 8.06073 6.36552 numMergedOcc 0
