0 mol 5 unq 0 iso 0 dist 9.22115 4.29708 5.14917 8.4301 7.15734 5.43606 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 8.10071 5.70284 6.49174 9.99699 8.13653 4.3501 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 8.10071 5.70284 6.49174 9.97805 5.44539 5.31552 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.09555 3.89552 9.8067 5.36674 5.61016 8.14333 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 8.10965 8.1253 7.52954 4.76694 7.81042 4.32749 numMergedOcc 0
5 mol 123 unq 0 iso 0 dist 7.99359 4.99882 8.56386 11.3887 9.86842 14.7054 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 7.28273 4.65559 7.13958 7.26955 7.07421 4.99299 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 8.72732 8.78252 7.17051 10.5918 5.12189 5.80658 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 8.72732 8.78252 7.17051 5.48547 7.50126 8.58899 numMergedOcc 0
9 mol 163 unq 0 iso 0 dist 6.58002 6.88414 8.66172 5.52157 9.85967 10.2273 numMergedOcc 0
10 mol 173 unq 0 iso 0 dist 8.87968 10.996 8.84813 11.3263 5.97008 4.23524 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.72113 7.45659 5.83898 13.0532 9.08767 8.56706 numMergedOcc 0
12 mol 217 unq 0 iso 0 dist 8.29482 9.34274 8.60259 4.89824 6.01666 5.30434 numMergedOcc 0
13 mol 223 unq 0 iso 0 dist 4.30445 6.11508 7.29418 6.59509 6.03408 5.59816 numMergedOcc 0
14 mol 223 unq 1 iso 0 dist 4.30445 8.58714 8.63099 6.59509 6.03408 4.04961 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 8.88518 3.89286 9.17911 3.7042 6.08181 5.62491 numMergedOcc 0
16 mol 258 unq 1 iso 0 dist 8.88518 3.89286 9.17911 13.1596 7.70189 15.136 numMergedOcc 0
17 mol 258 unq 2 iso 0 dist 8.88518 16.57 9.52903 3.7042 6.08181 13.2258 numMergedOcc 0
18 mol 258 unq 3 iso 0 dist 8.88518 16.57 9.52903 13.1596 7.70189 3.95075 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 9.4961 7.46031 9.36806 10.3186 8.12204 7.43132 numMergedOcc 0
20 mol 266 unq 1 iso 0 dist 9.4961 12.0129 7.51446 10.3186 8.12204 8.18304 numMergedOcc 0
21 mol 266 unq 2 iso 0 dist 8.3978 7.87257 9.36806 7.14057 8.12204 7.43132 numMergedOcc 0
22 mol 266 unq 3 iso 0 dist 8.3978 11.6181 7.51446 7.14057 8.12204 8.18304 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 7.86721 9.33832 6.39586 13.271 7.2783 6.68556 numMergedOcc 0
24 mol 280 unq 0 iso 0 dist 7.31523 4.35391 7.78355 11.1583 6.83927 10.0698 numMergedOcc 0
25 mol 280 unq 1 iso 0 dist 8.67836 10.411 7.78355 11.8477 6.83927 10.0698 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 9.04355 12.8871 6.76192 14.8194 8.0935 4.157 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 9.04355 12.8871 6.76192 14.8194 8.0935 4.157 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 9.04355 12.8871 6.76192 14.8194 8.0935 4.157 numMergedOcc 0
