0 mol 34 unq 0 iso 0 dist 8.36524 6.20159 13.7039 4.81606 9.44189 5.80973 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 8.23258 8.11814 8.15001 5.40957 8.08117 12.1264 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.84521 9.92963 15.4121 6.66818 8.92291 15.7225 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 6.84521 8.07389 8.42544 6.66818 8.92291 5.97298 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 8.90024 9.92963 18.4575 6.66818 6.79185 15.7225 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 8.90024 8.07389 6.09486 6.66818 6.79185 5.97298 numMergedOcc 0
6 mol 43 unq 4 iso 0 dist 6.78532 9.92963 13.9259 6.66818 8.37962 15.7225 numMergedOcc 0
7 mol 43 unq 5 iso 0 dist 6.78532 8.07389 4.40385 6.66818 8.37962 5.97298 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.9795 8.58689 5.83941 9.37751 9.30021 11.6993 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 9.9795 7.82214 5.46695 9.37751 9.30021 12.2377 numMergedOcc 0
10 mol 86 unq 0 iso 0 dist 5.63037 7.11305 4.52616 4.39312 7.73058 9.68049 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 9.96446 7.69672 12.6706 14.0484 7.48658 19.145 numMergedOcc 0
12 mol 110 unq 0 iso 0 dist 8.60857 5.52502 3.99091 8.4731 8.76445 5.66251 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 6.44195 5.7306 4.66975 6.31686 7.74216 7.43 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 7.70631 6.18166 4.91336 15.4811 8.02386 11.0392 numMergedOcc 0
15 mol 197 unq 1 iso 0 dist 7.70631 6.18166 4.91336 7.35039 6.6259 7.09053 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 9.90891 6.28518 15.9553 5.02623 6.29592 10.7001 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 8.14464 9.7268 12.2034 7.27468 9.20561 7.27704 numMergedOcc 0
18 mol 225 unq 1 iso 0 dist 9.93754 9.7268 7.96183 7.27468 9.88976 7.27704 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 9.38793 7.89017 13.9139 5.45485 9.78482 12.5317 numMergedOcc 0
