0 mol 56 unq 0 iso 0 dist 7.36255 7.3395 5.62688 11.4701 5.02731 9.2898 16.0633 11.3844 14.8094 6.80741 numMergedOcc 0
1 mol 117 unq 0 iso 0 dist 8.85708 10.2932 8.54233 11.3462 5.34484 6.10127 8.3896 5.24519 6.66127 7.70533 numMergedOcc 0
2 mol 129 unq 0 iso 0 dist 9.66828 4.45029 8.46972 9.46892 10.1294 5.51197 6.10774 12.6621 4.79473 6.29026 numMergedOcc 0
3 mol 207 unq 0 iso 0 dist 7.98453 9.63192 8.01415 9.18896 5.62653 5.12567 6.26853 4.55528 4.43093 5.08312 numMergedOcc 0
4 mol 207 unq 1 iso 0 dist 7.98453 5.10056 8.25861 10.3876 4.4545 9.98372 6.26853 4.55528 5.15938 8.09522 numMergedOcc 0
5 mol 207 unq 2 iso 0 dist 7.98453 5.10056 8.25861 9.18896 5.62653 6.0563 6.26853 4.55528 5.15938 5.08312 numMergedOcc 0
6 mol 207 unq 3 iso 0 dist 7.98453 3.94578 8.5067 10.3876 4.4545 9.1528 6.26853 4.55528 7.6274 8.09522 numMergedOcc 0
7 mol 207 unq 4 iso 0 dist 7.98453 3.94578 8.5067 9.18896 5.62653 8.1244 6.26853 4.55528 7.6274 5.08312 numMergedOcc 0
8 mol 214 unq 0 iso 0 dist 7.71569 5.47184 6.91906 5.36829 5.68711 7.46481 8.72971 5.69733 4.112 8.49704 numMergedOcc 0
9 mol 235 unq 0 iso 0 dist 8.52954 4.46929 6.50932 9.4144 8.38435 5.1823 8.47815 7.52696 5.39025 7.2346 numMergedOcc 0
10 mol 259 unq 0 iso 0 dist 5.16838 9.54522 6.95658 5.90645 5.20592 9.07743 6.13878 9.16548 9.90573 6.77279 numMergedOcc 0
11 mol 259 unq 1 iso 0 dist 5.16838 9.54522 6.95658 9.73107 6.80302 7.66153 6.13878 9.16548 9.90573 9.58006 numMergedOcc 0
12 mol 264 unq 0 iso 0 dist 6.43775 3.63202 7.05095 9.43335 9.80039 5.90058 11.4169 15.1151 8.41904 7.22789 numMergedOcc 0
13 mol 274 unq 0 iso 0 dist 6.8693 15.4174 9.40401 15.2286 11.1036 9.30212 18.2132 15.5342 15.2854 6.00877 numMergedOcc 0
14 mol 274 unq 1 iso 0 dist 6.8693 15.4174 9.40401 15.2286 11.1036 9.30212 21.3647 17.6927 16.784 8.66451 numMergedOcc 0
15 mol 274 unq 2 iso 0 dist 7.03782 5.08716 5.64169 14.2489 11.5127 9.30212 20.1562 16.9209 15.2854 6.00877 numMergedOcc 0
16 mol 274 unq 3 iso 0 dist 7.03782 5.08716 5.64169 14.2489 11.5127 9.30212 21.0919 17.7769 16.784 8.66451 numMergedOcc 0
17 mol 280 unq 0 iso 0 dist 4.26671 5.55901 6.16546 9.02427 5.80223 6.86234 11.2544 9.9227 7.42656 8.85762 numMergedOcc 0
