0 mol 67 unq 0 iso 0 dist 5.70192 3.77705 8.96498 11.7466 7.5228 15.3956 numMergedOcc 0
1 mol 67 unq 0 iso 1 dist 5.70192 11.7466 7.5228 3.77705 8.96498 15.3956 numMergedOcc 0
2 mol 67 unq 1 iso 0 dist 7.65646 7.64337 8.96498 10.1845 7.5228 15.3956 numMergedOcc 0
3 mol 67 unq 1 iso 1 dist 7.65646 10.1845 7.5228 7.64337 8.96498 15.3956 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 9.15288 7.72904 5.47706 13.6432 8.89842 7.95975 numMergedOcc 0
5 mol 78 unq 0 iso 1 dist 9.15288 13.6432 8.89842 7.72904 5.47706 7.95975 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 9.15288 7.72904 5.47706 9.64221 8.07568 8.2592 numMergedOcc 0
7 mol 78 unq 1 iso 1 dist 9.15288 9.64221 8.07568 7.72904 5.47706 8.2592 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 9.15288 13.6432 8.89842 9.64221 8.07568 15.4762 numMergedOcc 0
9 mol 78 unq 1 iso 1 dist 9.15288 9.64221 8.07568 13.6432 8.89842 15.4762 numMergedOcc 0
10 mol 78 unq 2 iso 0 dist 9.4909 11.0011 5.47706 10.0477 8.89842 7.95975 numMergedOcc 0
11 mol 78 unq 2 iso 1 dist 9.4909 10.0477 8.89842 11.0011 5.47706 7.95975 numMergedOcc 0
12 mol 78 unq 3 iso 0 dist 9.4909 11.0011 5.47706 16.0481 8.07568 8.2592 numMergedOcc 0
13 mol 78 unq 3 iso 1 dist 9.4909 16.0481 8.07568 11.0011 5.47706 8.2592 numMergedOcc 0
14 mol 78 unq 3 iso 0 dist 9.4909 10.0477 8.89842 16.0481 8.07568 15.4762 numMergedOcc 0
15 mol 78 unq 3 iso 1 dist 9.4909 16.0481 8.07568 10.0477 8.89842 15.4762 numMergedOcc 0
16 mol 95 unq 0 iso 0 dist 6.64631 8.97717 9.51318 10.5689 9.84457 5.04906 numMergedOcc 0
17 mol 95 unq 0 iso 1 dist 6.64631 10.5689 9.84457 8.97717 9.51318 5.04906 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 8.95838 5.99531 6.55202 11.2265 9.08536 12.7135 numMergedOcc 0
19 mol 119 unq 0 iso 1 dist 8.95838 11.2265 9.08536 5.99531 6.55202 12.7135 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 9.47892 13.9667 6.55202 15.453 9.08536 12.7135 numMergedOcc 0
21 mol 119 unq 1 iso 1 dist 9.47892 15.453 9.08536 13.9667 6.55202 12.7135 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 7.65559 3.72135 6.65272 7.66483 9.66989 4.89072 numMergedOcc 0
23 mol 162 unq 0 iso 1 dist 7.65559 7.66483 9.66989 3.72135 6.65272 4.89072 numMergedOcc 0
24 mol 173 unq 0 iso 0 dist 9.56248 15.8873 8.62366 14.9274 9.44973 6.03503 numMergedOcc 0
25 mol 173 unq 0 iso 1 dist 9.56248 14.9274 9.44973 15.8873 8.62366 6.03503 numMergedOcc 0
26 mol 173 unq 1 iso 0 dist 9.56248 15.8873 8.62366 9.35913 6.52508 7.19559 numMergedOcc 0
27 mol 173 unq 1 iso 1 dist 9.56248 9.35913 6.52508 15.8873 8.62366 7.19559 numMergedOcc 0
28 mol 173 unq 1 iso 0 dist 9.56248 14.9274 9.44973 9.35913 6.52508 6.51246 numMergedOcc 0
29 mol 173 unq 1 iso 1 dist 9.56248 9.35913 6.52508 14.9274 9.44973 6.51246 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 6.17129 7.19461 9.09234 9.77747 6.76746 11.196 numMergedOcc 0
31 mol 181 unq 0 iso 1 dist 6.17129 9.77747 6.76746 7.19461 9.09234 11.196 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 6.17129 7.19461 9.09234 10.0615 8.92098 10.1041 numMergedOcc 0
33 mol 181 unq 1 iso 1 dist 6.17129 10.0615 8.92098 7.19461 9.09234 10.1041 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 6.17129 9.77747 6.76746 10.0615 8.92098 3.55187 numMergedOcc 0
35 mol 181 unq 1 iso 1 dist 6.17129 10.0615 8.92098 9.77747 6.76746 3.55187 numMergedOcc 0
36 mol 181 unq 2 iso 0 dist 5.83596 11.195 9.09234 4.76079 6.76746 11.196 numMergedOcc 0
37 mol 181 unq 2 iso 1 dist 5.83596 4.76079 6.76746 11.195 9.09234 11.196 numMergedOcc 0
38 mol 181 unq 3 iso 0 dist 5.83596 11.195 9.09234 6.38851 8.92098 10.1041 numMergedOcc 0
39 mol 181 unq 3 iso 1 dist 5.83596 6.38851 8.92098 11.195 9.09234 10.1041 numMergedOcc 0
40 mol 181 unq 3 iso 0 dist 5.83596 4.76079 6.76746 6.38851 8.92098 3.55187 numMergedOcc 0
41 mol 181 unq 3 iso 1 dist 5.83596 6.38851 8.92098 4.76079 6.76746 3.55187 numMergedOcc 0
42 mol 194 unq 0 iso 0 dist 6.289 5.18485 7.10155 3.86206 6.11135 5.31005 numMergedOcc 0
43 mol 194 unq 0 iso 1 dist 6.289 3.86206 6.11135 5.18485 7.10155 5.31005 numMergedOcc 0
44 mol 233 unq 0 iso 0 dist 7.83363 4.98419 8.24424 7.08719 7.0942 3.55463 numMergedOcc 0
45 mol 233 unq 0 iso 1 dist 7.83363 7.08719 7.0942 4.98419 8.24424 3.55463 numMergedOcc 0
46 mol 233 unq 1 iso 0 dist 7.83363 4.98419 8.24424 10.7478 6.01775 8.23358 numMergedOcc 0
47 mol 233 unq 1 iso 1 dist 7.83363 10.7478 6.01775 4.98419 8.24424 8.23358 numMergedOcc 0
48 mol 233 unq 1 iso 0 dist 7.83363 7.08719 7.0942 10.7478 6.01775 6.91967 numMergedOcc 0
49 mol 233 unq 1 iso 1 dist 7.83363 10.7478 6.01775 7.08719 7.0942 6.91967 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 9.53092 9.92544 8.84648 12.9171 6.23661 8.0048 numMergedOcc 0
51 mol 259 unq 0 iso 1 dist 9.53092 12.9171 6.23661 9.92544 8.84648 8.0048 numMergedOcc 0
52 mol 270 unq 0 iso 0 dist 8.76013 12.5153 9.51462 6.27469 8.12971 6.94419 numMergedOcc 0
53 mol 270 unq 0 iso 1 dist 8.76013 6.27469 8.12971 12.5153 9.51462 6.94419 numMergedOcc 0
