0 mol 0 unq 0 iso 0 dist 8.82652 4.53161 8.27602 10.1875 9.72725 7.41411 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.0979 5.91829 8.03914 10.1001 6.66407 12.1132 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.0979 13.6933 9.04174 10.1001 6.66407 9.97169 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 8.79235 9.01319 9.31516 10.7201 7.28228 14.9509 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 9.90923 6.30184 6.37273 14.8791 9.8703 8.66168 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 9.90923 6.30184 6.37273 5.31976 7.39665 7.1369 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.82056 8.10307 7.91605 4.30874 5.5087 6.71593 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 5.82056 8.10307 7.91605 6.97502 5.61588 5.72472 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 9.09115 8.10307 6.43707 4.30874 6.08682 6.71593 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 9.09115 8.10307 6.43707 6.97502 7.83244 5.72472 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 6.14248 13.4778 9.3711 5.82267 8.23026 14.388 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 6.97936 15.1961 9.3711 12.6179 8.23026 14.388 numMergedOcc 0
12 mol 76 unq 2 iso 0 dist 5.00466 8.38148 9.3711 7.88072 8.23026 14.388 numMergedOcc 0
13 mol 87 unq 0 iso 0 dist 8.44482 4.40643 8.74603 11.0048 9.87329 7.53428 numMergedOcc 0
14 mol 88 unq 0 iso 0 dist 9.76849 13.2069 6.89706 6.06775 7.51139 8.44462 numMergedOcc 0
15 mol 88 unq 1 iso 0 dist 9.76849 13.2069 6.89706 14.7449 7.80898 6.07226 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 8.86846 6.04192 8.32738 6.06198 6.04595 5.78906 numMergedOcc 0
17 mol 116 unq 0 iso 0 dist 8.33185 10.2312 9.63281 6.57937 8.28795 3.97609 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 9.67398 12.2864 6.98077 7.09664 6.93139 5.50335 numMergedOcc 0
19 mol 130 unq 1 iso 0 dist 7.15213 7.55204 6.98077 7.49673 6.93139 5.50335 numMergedOcc 0
20 mol 139 unq 0 iso 0 dist 6.79625 10.5769 9.07404 8.16051 5.80789 10.3273 numMergedOcc 0
21 mol 139 unq 1 iso 0 dist 7.20542 6.5333 9.07404 4.78289 5.80789 10.3273 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 9.70788 7.87014 6.45477 10.1013 7.36975 4.98373 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 9.44172 6.58205 8.78112 6.62991 8.9192 9.66339 numMergedOcc 0
24 mol 223 unq 0 iso 0 dist 7.27963 11.4317 8.85178 10.6103 6.42257 4.67731 numMergedOcc 0
25 mol 223 unq 1 iso 0 dist 7.27963 7.76651 7.8233 10.6103 6.42257 5.39302 numMergedOcc 0
26 mol 223 unq 2 iso 0 dist 7.27963 4.44076 5.50267 10.6103 6.42257 7.19485 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 8.57781 8.09748 8.83742 15.4433 8.08349 10.9485 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 8.57781 8.09748 8.83742 10.8616 9.78218 5.52688 numMergedOcc 0
29 mol 224 unq 2 iso 0 dist 5.36326 6.63295 8.83742 4.55824 8.08349 10.9485 numMergedOcc 0
30 mol 224 unq 3 iso 0 dist 5.36326 6.63295 8.83742 6.91193 9.78218 5.52688 numMergedOcc 0
31 mol 236 unq 0 iso 0 dist 9.67162 10.1358 6.92437 5.52669 8.23087 5.74377 numMergedOcc 0
32 mol 273 unq 0 iso 0 dist 6.95569 4.62586 5.63226 11.0966 6.31969 9.45651 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 7.32002 6.01509 6.79765 10.9431 9.74118 9.91235 numMergedOcc 0
