0 mol 112 unq 0 iso 0 dist 9.28645 9.10324 9.37708 3.78964 7.77418 5.96497 7.53905 6.95852 9.67907 5.56994 numMergedOcc 0
1 mol 117 unq 0 iso 0 dist 8.85708 8.3896 5.24519 10.2932 8.54233 6.66127 11.3462 5.34484 7.70533 6.10127 numMergedOcc 0
2 mol 186 unq 0 iso 0 dist 8.52322 9.45075 8.40343 3.6848 7.12029 8.06464 8.96988 6.94867 14.3315 8.90571 numMergedOcc 0
3 mol 186 unq 1 iso 0 dist 8.52322 9.45075 8.40343 3.6848 7.12029 8.06464 9.44405 5.77884 11.1735 6.61112 numMergedOcc 0
4 mol 207 unq 0 iso 0 dist 7.98453 6.26853 4.55528 9.63192 8.01415 4.43093 9.18896 5.62653 5.08312 5.12567 numMergedOcc 0
5 mol 207 unq 1 iso 0 dist 7.98453 6.26853 4.55528 5.10056 8.25861 5.15938 10.3876 4.4545 8.09522 9.98372 numMergedOcc 0
6 mol 207 unq 2 iso 0 dist 7.98453 6.26853 4.55528 5.10056 8.25861 5.15938 9.18896 5.62653 5.08312 6.0563 numMergedOcc 0
7 mol 207 unq 3 iso 0 dist 7.98453 6.26853 4.55528 3.94578 8.5067 7.6274 10.3876 4.4545 8.09522 9.1528 numMergedOcc 0
8 mol 207 unq 4 iso 0 dist 7.98453 6.26853 4.55528 3.94578 8.5067 7.6274 9.18896 5.62653 5.08312 8.1244 numMergedOcc 0
9 mol 214 unq 0 iso 0 dist 7.71569 8.72971 5.69733 5.47184 6.91906 4.112 5.36829 5.68711 8.49704 7.46481 numMergedOcc 0
10 mol 235 unq 0 iso 0 dist 8.52954 8.47815 7.52696 4.46929 6.50932 5.39025 10.3464 14.2513 10.5214 8.19317 numMergedOcc 0
11 mol 235 unq 1 iso 0 dist 8.52954 8.47815 7.52696 4.46929 6.50932 5.39025 9.4144 8.38435 7.2346 5.1823 numMergedOcc 0
12 mol 259 unq 0 iso 0 dist 5.16838 5.45575 7.4294 9.54522 6.95658 12.6734 5.90645 5.20592 10.3594 9.07743 numMergedOcc 0
13 mol 259 unq 1 iso 0 dist 5.16838 5.45575 7.4294 9.54522 6.95658 12.6734 9.73107 6.80302 13.8212 7.66153 numMergedOcc 0
14 mol 259 unq 2 iso 0 dist 5.16838 10.6997 8.37253 9.54522 6.95658 5.77768 5.90645 5.20592 12.6542 9.07743 numMergedOcc 0
15 mol 259 unq 3 iso 0 dist 5.16838 10.6997 8.37253 9.54522 6.95658 5.77768 9.73107 6.80302 12.3765 7.66153 numMergedOcc 0
16 mol 273 unq 0 iso 0 dist 9.83374 11.7549 9.36052 13.0429 8.28809 6.08276 16.347 6.69098 12.8035 9.59325 numMergedOcc 0
17 mol 273 unq 1 iso 0 dist 5.75335 7.38837 9.36052 5.19474 8.28809 6.08276 10.1523 6.69098 12.8035 9.59325 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 6.8693 7.3279 9.30966 15.4174 9.40401 13.3483 15.2286 11.1036 13.6339 9.30212 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 6.8693 8.62596 5.38704 15.4174 9.40401 7.5856 15.2286 11.1036 10.3428 9.30212 numMergedOcc 0
20 mol 274 unq 2 iso 0 dist 6.8693 13.2785 8.05503 15.4174 9.40401 5.04738 15.2286 11.1036 12.9668 9.30212 numMergedOcc 0
21 mol 274 unq 3 iso 0 dist 7.03782 11.0932 8.26695 5.08716 5.64169 7.5856 14.2489 11.5127 10.3428 9.30212 numMergedOcc 0
22 mol 274 unq 4 iso 0 dist 7.03782 5.66978 5.59151 5.08716 5.64169 5.04738 14.2489 11.5127 12.9668 9.30212 numMergedOcc 0
23 mol 274 unq 5 iso 0 dist 7.03782 10.88 8.17922 5.08716 5.64169 12.0951 14.2489 11.5127 17.1941 9.30212 numMergedOcc 0
24 mol 280 unq 0 iso 0 dist 4.26671 10.0698 9.047 5.55901 6.16546 12.331 9.16248 8.30978 16.7212 6.02353 numMergedOcc 0
25 mol 280 unq 1 iso 0 dist 4.26671 10.0698 9.047 5.55901 6.16546 12.331 9.02427 5.80223 13.1827 6.86234 numMergedOcc 0
26 mol 280 unq 2 iso 0 dist 4.26671 11.2544 9.9227 5.55901 6.16546 7.42656 9.16248 8.30978 11.1402 6.02353 numMergedOcc 0
27 mol 280 unq 3 iso 0 dist 4.26671 11.2544 9.9227 5.55901 6.16546 7.42656 9.02427 5.80223 8.85762 6.86234 numMergedOcc 0
