0 mol 19 unq 0 iso 0 dist 8.64504 4.77352 8.96634 6.41045 4.44441 6.10339 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 9.11745 10.5954 8.28218 14.7684 9.75637 9.27081 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 6.13394 4.50796 9.15754 10.9328 12.3916 8.72013 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 7.02755 3.832 5.70283 10.2001 8.0518 6.4687 numMergedOcc 0
4 mol 81 unq 1 iso 0 dist 7.02755 6.84706 7.16741 10.2001 8.0518 6.67147 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 8.00314 11.0833 7.67463 14.3639 10.3737 8.77199 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 8.00314 11.0833 7.67463 9.67557 8.37717 8.81824 numMergedOcc 0
7 mol 88 unq 0 iso 0 dist 8.73208 9.14163 9.06249 13.9579 6.27514 9.54952 numMergedOcc 0
8 mol 88 unq 1 iso 0 dist 5.60174 9.58585 9.06249 11.3747 6.27514 9.54952 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 8.52131 13.4577 7.78215 13.0805 4.73288 8.86966 numMergedOcc 0
10 mol 152 unq 1 iso 0 dist 8.52131 13.4577 7.78215 11.9198 4.70284 5.7527 numMergedOcc 0
11 mol 157 unq 0 iso 0 dist 9.46735 8.78326 5.32542 10.9633 4.54378 7.52643 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 9.04564 4.43662 9.56702 8.9053 6.05019 6.64326 numMergedOcc 0
13 mol 158 unq 1 iso 0 dist 7.76952 4.1393 9.67263 10.1818 13.173 9.53821 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 9.40138 12.1591 5.60333 8.02366 5.02061 6.32146 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 6.58557 15.1691 9.41473 11.5429 5.29041 5.62219 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 7.51295 13.6993 9.28671 21.2475 15.1309 9.0813 numMergedOcc 0
17 mol 230 unq 1 iso 0 dist 7.51295 13.6993 9.28671 11.4691 4.65404 5.94606 numMergedOcc 0
18 mol 230 unq 2 iso 0 dist 9.62914 10.2371 8.46558 19.0065 13.9138 9.0813 numMergedOcc 0
19 mol 230 unq 3 iso 0 dist 9.62914 10.2371 8.46558 11.0338 11.0218 5.94606 numMergedOcc 0
20 mol 230 unq 4 iso 0 dist 9.73038 10.2371 9.28671 19.0065 15.1309 9.0813 numMergedOcc 0
21 mol 230 unq 5 iso 0 dist 9.73038 10.2371 9.28671 11.0338 4.65404 5.94606 numMergedOcc 0
