0 mol 26 unq 0 iso 0 dist 8.07937 14.9314 6.88695 10.6139 5.3315 8.34347 10.2286 6.66387 9.16962 11.887 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.42206 4.76147 6.88695 7.34549 5.3315 8.34347 9.08976 6.66387 9.16962 11.887 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.66602 5.93227 6.88695 9.72289 5.3315 8.34347 13.0219 6.66387 9.16962 11.887 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 5.35101 7.71984 6.36193 9.74058 5.40367 6.62496 11.3775 6.05206 9.64665 4.67832 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 5.35101 4.67517 4.88613 9.74058 5.40367 6.35756 12.3446 9.80755 8.89374 6.47744 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 8.68381 12.5529 6.36193 12.818 5.40367 6.62496 13.8916 6.05206 9.64665 4.67832 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 8.68381 8.47822 4.88613 12.818 5.40367 6.35756 13.3753 9.80755 8.89374 6.47744 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 8.21127 6.86762 5.02717 12.9567 5.28901 7.30858 11.0433 9.81097 8.66155 11.3902 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 8.21127 6.86762 5.02717 5.11612 6.75472 5.83991 11.0433 9.81097 8.66155 6.09023 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 8.21127 6.86762 5.02717 11.7895 11.0268 7.88312 11.0433 9.81097 8.66155 4.61908 numMergedOcc 0
10 mol 115 unq 3 iso 0 dist 7.99121 6.8104 4.98864 5.22628 6.59772 6.11741 12.7277 5.46352 6.99777 10.8292 numMergedOcc 0
11 mol 115 unq 4 iso 0 dist 7.99121 6.8104 4.98864 5.22628 6.59772 6.11741 11.1013 10.1017 9.14376 6.12943 numMergedOcc 0
12 mol 115 unq 5 iso 0 dist 7.99121 6.8104 4.98864 11.2519 10.9437 7.88312 12.7277 5.46352 6.99777 11.7126 numMergedOcc 0
13 mol 115 unq 6 iso 0 dist 7.99121 6.8104 4.98864 11.2519 10.9437 7.88312 11.1013 10.1017 9.14376 4.62962 numMergedOcc 0
14 mol 115 unq 7 iso 0 dist 6.30982 6.8104 7.95871 5.22628 4.86477 6.11741 12.7277 10.3995 6.99777 10.8292 numMergedOcc 0
15 mol 115 unq 8 iso 0 dist 6.30982 6.8104 7.95871 5.22628 4.86477 6.11741 11.1013 9.81323 9.14376 6.12943 numMergedOcc 0
16 mol 115 unq 9 iso 0 dist 6.30982 6.8104 7.95871 11.2519 12.0354 7.88312 12.7277 10.3995 6.99777 11.7126 numMergedOcc 0
17 mol 115 unq 10 iso 0 dist 6.30982 6.8104 7.95871 11.2519 12.0354 7.88312 11.1013 9.81323 9.14376 4.62962 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 8.87505 8.50937 5.49877 12.4719 3.96103 8.70949 11.327 6.53156 6.89257 8.84655 numMergedOcc 0
19 mol 130 unq 1 iso 0 dist 8.87505 8.50937 5.49877 12.4719 3.96103 8.70949 9.02079 4.72188 8.74308 6.76754 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 5.08796 10.9813 9.84952 6.43406 4.3158 7.81386 15.0054 11.14 7.98142 9.53462 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 5.08796 10.9813 9.84952 6.43406 4.3158 7.81386 14.1437 10.9006 7.37327 11.1462 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 5.08796 10.9813 9.84952 13.9818 12.9554 7.63312 15.0054 11.14 7.98142 9.60512 numMergedOcc 0
23 mol 181 unq 3 iso 0 dist 5.08796 10.9813 9.84952 13.9818 12.9554 7.63312 14.1437 10.9006 7.37327 13.3389 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 9.86936 10.0276 7.16386 16.5598 9.02283 9.41367 10.3239 3.90017 7.61951 7.08796 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 9.61454 9.77128 7.08539 14.1669 7.38431 5.4638 9.78353 4.28284 9.58736 9.66021 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.61428 5.77573 9.13537 12.0065 10.3859 6.57393 9.02302 6.16476 5.38637 6.20606 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 6.83706 9.03495 6.42725 10.0986 8.70769 5.30224 5.68415 7.53102 6.77938 4.99891 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 6.83706 9.03495 6.42725 10.0986 8.70769 5.30224 9.6484 6.58569 7.76676 5.32839 numMergedOcc 0
29 mol 265 unq 0 iso 0 dist 8.09021 4.75685 9.772 6.78702 5.75478 8.4218 7.74463 5.55314 6.34034 6.43013 numMergedOcc 0
30 mol 265 unq 1 iso 0 dist 6.98451 11.5105 9.772 8.59825 5.75478 8.4218 11.0134 5.55314 6.34034 6.43013 numMergedOcc 0
