0 mol 19 unq 0 iso 0 dist 7.20519 9.80108 5.5841 12.3486 6.92532 11.2198 10.741 4.97119 5.90856 6.39966 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 6.864 8.58657 5.5841 9.47529 6.92532 11.2198 6.41423 4.97119 5.90856 6.39966 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 6.00575 6.60423 8.62284 7.33768 4.32034 5.90981 9.69752 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.86014 9.75144 5.39241 6.00575 6.60423 8.62284 7.29868 8.52463 13.719 9.36461 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.34347 9.16962 11.887 13.2876 8.44506 19.4863 18.1487 10.9837 22.4036 9.5053 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 7.47343 7.75343 15.209 12.6602 7.12017 19.9317 16.5404 9.75737 23.8581 9.5669 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 6.11741 9.66954 4.61908 6.08806 5.74857 9.62857 11.0224 5.22052 6.20063 8.85881 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 6.11741 7.64585 10.8939 6.08806 5.74857 13.5029 11.0224 5.22052 15.3461 8.85881 numMergedOcc 0
8 mol 115 unq 2 iso 0 dist 7.88312 8.66155 4.61908 7.21418 5.74857 9.62857 12.13 5.22052 6.20063 8.85881 numMergedOcc 0
9 mol 175 unq 0 iso 0 dist 9.29945 9.52634 9.11521 4.24624 8.0154 12.0318 10.7017 6.29885 12.9812 8.05247 numMergedOcc 0
10 mol 175 unq 1 iso 0 dist 9.29945 9.52634 9.11521 4.24624 8.0154 12.0318 9.39352 7.27408 7.60254 9.71028 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 5.98885 7.20046 5.4601 5.93488 6.51749 7.345 9.72611 5.6044 9.87435 7.11785 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 5.98885 7.13543 10.0524 5.93488 6.51749 9.52987 9.72611 5.6044 14.6648 7.11785 numMergedOcc 0
13 mol 181 unq 2 iso 0 dist 9.09537 7.20046 6.14208 5.93488 7.20392 7.345 9.72611 12.9468 9.87435 7.11785 numMergedOcc 0
14 mol 181 unq 3 iso 0 dist 9.09537 7.13543 5.95965 5.93488 7.20392 9.52987 9.72611 12.9468 14.6648 7.11785 numMergedOcc 0
15 mol 181 unq 4 iso 0 dist 9.15386 9.6668 8.25067 7.64267 6.51749 11.1398 10.428 5.6044 6.27947 7.11785 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 6.03031 9.19704 8.66809 5.28092 8.44861 5.42696 9.53629 13.0658 11.8917 9.17946 numMergedOcc 0
17 mol 205 unq 1 iso 0 dist 7.26832 9.19704 6.23291 5.28092 5.60393 5.42696 9.53629 14.4523 11.8917 9.17946 numMergedOcc 0
18 mol 209 unq 0 iso 0 dist 7.56373 7.95911 7.19056 4.90038 8.41195 11.4242 6.85935 6.552 5.50596 7.97418 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 9.14619 7.47164 7.49174 6.04016 5.26434 9.24121 10.7876 7.39176 10.0785 8.61563 numMergedOcc 0
20 mol 261 unq 1 iso 0 dist 8.45658 7.47164 5.22253 6.04016 8.60026 9.24121 10.7876 12.8544 10.0785 8.61563 numMergedOcc 0
21 mol 272 unq 0 iso 0 dist 9.97651 9.09992 10.841 4.86504 9.64269 11.7075 12.0724 10.2227 11.8869 9.18635 numMergedOcc 0
22 mol 272 unq 1 iso 0 dist 9.97651 6.16449 4.72202 4.86504 9.64269 7.55161 12.0724 10.2227 12.015 9.18635 numMergedOcc 0
23 mol 272 unq 2 iso 0 dist 8.33638 6.73206 5.63139 8.7909 8.46061 11.7075 13.0773 6.32008 11.8869 9.18635 numMergedOcc 0
24 mol 272 unq 3 iso 0 dist 8.46116 9.09992 5.63139 4.86504 8.46061 11.7075 12.0724 6.32008 11.8869 9.18635 numMergedOcc 0
25 mol 272 unq 4 iso 0 dist 8.46116 6.16449 8.52877 4.86504 8.46061 7.55161 12.0724 6.32008 12.015 9.18635 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 8.49997 7.97444 6.8406 12.106 9.56685 15.6446 11.6126 5.29529 10.7248 8.2997 numMergedOcc 0
