0 mol 34 unq 0 iso 0 dist 8.28811 5.08831 9.33027 10.516 9.26362 9.87332 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.28811 5.08831 9.33027 9.16728 7.05327 6.35031 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 8.28811 6.54316 7.32707 10.516 9.26362 3.9873 numMergedOcc 0
3 mol 34 unq 3 iso 0 dist 8.28811 6.54316 7.32707 9.16728 7.05327 5.50427 numMergedOcc 0
4 mol 34 unq 4 iso 0 dist 8.28811 11.3171 7.90574 10.516 9.26362 4.5357 numMergedOcc 0
5 mol 34 unq 5 iso 0 dist 8.28811 11.3171 7.90574 9.16728 7.05327 3.54863 numMergedOcc 0
6 mol 34 unq 6 iso 0 dist 6.29253 5.08831 8.2946 9.16728 9.29284 6.35031 numMergedOcc 0
7 mol 34 unq 7 iso 0 dist 6.29253 6.54316 9.25346 9.16728 9.29284 5.50427 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 5.42653 9.48551 9.56752 8.91067 6.18681 5.57394 numMergedOcc 0
9 mol 90 unq 1 iso 0 dist 5.42653 9.48551 9.56752 9.02213 9.33288 3.54647 numMergedOcc 0
10 mol 90 unq 2 iso 0 dist 8.71991 7.0274 9.56752 9.22808 6.18681 5.57394 numMergedOcc 0
11 mol 90 unq 3 iso 0 dist 8.71991 7.0274 9.56752 9.61403 9.33288 3.54647 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 9.82638 9.11419 5.52683 6.0008 6.40751 3.84623 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 4.86894 10.4027 9.30424 10.7652 8.08798 4.5497 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 5.29147 4.84643 9.55606 6.46602 7.76863 9.16458 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 5.3853 10.0472 8.90076 4.72232 8.71877 13.8952 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 5.3853 10.0651 6.62002 4.72232 8.71877 12.856 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 7.48307 15.585 9.01462 14.3897 9.99181 7.18773 numMergedOcc 0
18 mol 239 unq 1 iso 0 dist 9.03093 15.0148 7.02079 14.2967 8.08777 5.88357 numMergedOcc 0
19 mol 239 unq 2 iso 0 dist 9.03093 5.93253 5.88802 14.2967 8.08777 9.24057 numMergedOcc 0
20 mol 250 unq 0 iso 0 dist 9.01911 6.19393 6.44252 4.50524 6.61917 4.14699 numMergedOcc 0
21 mol 256 unq 0 iso 0 dist 7.54244 12.9347 7.48269 9.16813 5.85613 5.59732 numMergedOcc 0
22 mol 256 unq 1 iso 0 dist 7.54244 8.03672 6.71249 9.16813 5.85613 3.96807 numMergedOcc 0
23 mol 256 unq 2 iso 0 dist 7.54244 5.9572 9.18903 9.16813 5.85613 11.141 numMergedOcc 0
24 mol 278 unq 0 iso 0 dist 7.05438 10.7441 7.48235 5.85558 9.94661 14.4818 numMergedOcc 0
25 mol 278 unq 1 iso 0 dist 7.08899 3.5882 7.48235 15.8538 9.94661 14.4818 numMergedOcc 0
26 mol 294 unq 0 iso 0 dist 7.15628 14.2963 8.87606 13.9077 9.33755 8.56972 numMergedOcc 0
27 mol 294 unq 1 iso 0 dist 7.15628 14.2963 8.87606 12.9168 6.25334 9.32087 numMergedOcc 0
