0 mol 8 unq 0 iso 0 dist 8.6405 5.86575 6.26865 12.7089 4.85329 8.33604 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.80334 4.16088 9.54797 5.36645 4.84988 8.09058 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.61926 5.68492 8.4517 5.54343 5.35421 8.68586 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 8.61926 5.68492 8.4517 12.0432 5.68303 9.54144 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 5.29487 6.51655 9.70189 8.24121 11.1718 7.04352 numMergedOcc 0
5 mol 94 unq 0 iso 0 dist 9.09847 8.28879 7.38914 16.0551 10.0455 8.3586 numMergedOcc 0
6 mol 94 unq 1 iso 0 dist 5.20598 7.0184 7.38914 9.10488 10.0455 8.3586 numMergedOcc 0
7 mol 105 unq 0 iso 0 dist 7.81122 5.74792 6.50017 12.3174 9.02292 8.36733 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.71591 5.01204 8.87941 8.19156 5.37729 6.96442 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 9.99454 5.80806 7.99631 12.2331 6.34759 7.76729 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 5.45159 10.5932 6.3244 18.5612 14.085 9.81878 numMergedOcc 0
11 mol 127 unq 1 iso 0 dist 4.9835 7.76684 6.3244 13.8284 14.085 9.81878 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.17877 6.24842 9.05357 12.7088 15.0734 7.92688 numMergedOcc 0
13 mol 140 unq 0 iso 0 dist 5.17739 6.92517 7.49546 9.41832 5.58533 6.95323 numMergedOcc 0
14 mol 140 unq 1 iso 0 dist 5.17739 6.92517 7.49546 5.44596 4.6872 7.27371 numMergedOcc 0
15 mol 140 unq 2 iso 0 dist 5.40251 7.15311 5.63811 11.5184 6.69673 6.95323 numMergedOcc 0
16 mol 140 unq 3 iso 0 dist 5.40251 7.15311 5.63811 10.5194 8.17877 7.27371 numMergedOcc 0
17 mol 155 unq 0 iso 0 dist 8.54318 6.40439 6.51096 13.7468 6.3845 9.17284 numMergedOcc 0
18 mol 155 unq 1 iso 0 dist 8.54318 6.40439 6.51096 10.2332 5.48883 9.87281 numMergedOcc 0
19 mol 155 unq 2 iso 0 dist 8.54318 6.40439 6.51096 6.53758 5.77564 8.87452 numMergedOcc 0
20 mol 155 unq 3 iso 0 dist 8.54318 6.76022 8.73171 10.2332 5.48883 8.27111 numMergedOcc 0
21 mol 155 unq 4 iso 0 dist 8.54318 6.76022 8.73171 6.53758 5.77564 7.68368 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 6.8093 8.17436 6.41318 9.11813 7.11879 6.95408 numMergedOcc 0
23 mol 194 unq 1 iso 0 dist 6.8093 8.17436 6.41318 14.7964 8.89656 9.57538 numMergedOcc 0
24 mol 194 unq 2 iso 0 dist 6.8093 8.17436 6.41318 14.3424 7.8502 9.2285 numMergedOcc 0
25 mol 194 unq 3 iso 0 dist 6.8093 8.17436 6.41318 13.1983 7.82648 7.58278 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 8.76325 6.78713 8.89778 12.2287 9.36098 6.87664 numMergedOcc 0
27 mol 224 unq 1 iso 0 dist 8.85101 7.09867 8.89778 12.7763 9.36098 6.87664 numMergedOcc 0
28 mol 284 unq 0 iso 0 dist 6.34235 5.13259 7.5746 6.86342 7.29657 7.52785 numMergedOcc 0
