0 mol 9 unq 0 iso 0 dist 9.8978 11.3797 9.62394 6.67398 9.57198 5.60154 10.298 7.28672 9.78006 8.04924 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.26276 11.7623 9.62394 9.03359 9.57198 5.60154 9.93613 7.28672 9.78006 8.04924 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.27369 10.2609 6.46104 10.1809 7.3022 11.0099 6.73259 5.30297 10.4035 7.61055 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.27369 8.18809 7.36856 10.1809 7.3022 4.74747 6.73259 5.30297 8.6385 7.61055 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 5.84625 5.40367 8.80614 9.80755 9.11258 6.47744 14.311 13.9844 10.5365 7.93481 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 8.2746 4.47138 7.56205 12.1095 6.04903 11.7069 14.8527 7.97193 15.0857 9.87677 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 8.2746 10.9596 4.74544 12.1095 6.04903 5.49555 14.8527 7.97193 10.9202 9.87677 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 9.18898 4.52119 6.95572 10.4617 5.39745 6.99832 16.8733 12.1199 12.3604 9.28578 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 8.96382 8.14567 6.84011 5.37126 8.809 5.31367 12.4294 8.51024 6.34525 8.06525 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 6.16862 12.7925 9.22232 4.49984 8.21165 12.0863 8.5076 9.78763 16.5366 8.07135 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 9.70325 15.4258 9.22232 6.16425 8.21165 12.0863 10.96 9.78763 16.5366 8.07135 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 6.42904 6.26797 9.22661 5.80615 6.51868 4.68409 7.34386 4.35684 12.2715 9.4062 numMergedOcc 0
12 mol 133 unq 3 iso 0 dist 7.31633 5.36939 7.56378 6.2062 7.34698 4.68409 15.1711 11.668 12.2715 9.4062 numMergedOcc 0
13 mol 146 unq 0 iso 0 dist 7.13378 8.76758 8.84535 10.9218 9.44952 14.7359 11.4102 6.00811 9.80351 8.68349 numMergedOcc 0
14 mol 146 unq 1 iso 0 dist 7.13378 6.347 8.82188 10.9218 9.44952 7.00857 11.4102 6.00811 9.52033 8.68349 numMergedOcc 0
15 mol 148 unq 0 iso 0 dist 9.80819 9.27313 6.22055 11.6995 9.73927 10.2478 5.06687 7.89336 9.74542 8.12589 numMergedOcc 0
16 mol 148 unq 1 iso 0 dist 9.80819 12.8573 8.18085 11.6995 9.73927 6.84291 5.06687 7.89336 11.214 8.12589 numMergedOcc 0
17 mol 150 unq 0 iso 0 dist 9.81665 9.25213 6.14675 11.8035 9.66129 10.2318 5.09809 7.86976 9.6606 8.11592 numMergedOcc 0
18 mol 150 unq 1 iso 0 dist 9.81665 12.8265 7.94889 11.8035 9.66129 6.79619 5.09809 7.86976 11.0682 8.11592 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 6.95568 4.11061 6.59025 6.28043 6.32777 7.07409 15.4119 11.1881 15.2991 9.52987 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 9.07527 9.32503 5.9176 6.24616 5.97685 9.60512 9.91705 6.12563 11.6558 5.49808 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 9.07527 9.32503 5.9176 12.5567 8.9289 13.3389 9.91705 6.12563 11.6558 7.96291 numMergedOcc 0
22 mol 188 unq 0 iso 0 dist 9.37017 4.04545 8.10214 14.7966 9.33696 12.0548 11.8182 5.87427 8.57261 7.48284 numMergedOcc 0
