0 mol 1 unq 0 iso 0 dist 9.44115 9.99706 7.90928 5.21705 5.96833 5.06184 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 7.90928 9.99706 9.44115 5.06184 5.96833 5.21705 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.77049 5.16141 6.95341 9.99243 9.81658 12.0088 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 6.95341 5.16141 8.77049 12.0088 9.81658 9.99243 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 8.91418 10.7739 6.0961 9.00425 7.29079 12.6048 numMergedOcc 0
5 mol 41 unq 0 iso 1 dist 6.0961 10.7739 8.91418 12.6048 7.29079 9.00425 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 5.67098 4.49719 8.58218 6.24306 9.35784 9.63592 numMergedOcc 0
7 mol 56 unq 0 iso 1 dist 8.58218 4.49719 5.67098 9.63592 9.35784 6.24306 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 8.17564 3.8971 7.19213 10.8351 8.67634 8.08163 numMergedOcc 0
9 mol 59 unq 0 iso 1 dist 7.19213 3.8971 8.17564 8.08163 8.67634 10.8351 numMergedOcc 0
10 mol 59 unq 1 iso 0 dist 8.17564 14.4502 6.94351 10.8351 8.67634 10.8454 numMergedOcc 0
11 mol 59 unq 1 iso 1 dist 6.94351 14.4502 8.17564 10.8454 8.67634 10.8351 numMergedOcc 0
12 mol 59 unq 1 iso 0 dist 7.19213 13.5267 6.94351 8.08163 8.67634 10.8454 numMergedOcc 0
13 mol 59 unq 1 iso 1 dist 6.94351 13.5267 7.19213 10.8454 8.67634 8.08163 numMergedOcc 0
14 mol 67 unq 0 iso 0 dist 5.70192 5.32316 7.65646 3.77705 8.96498 7.64337 numMergedOcc 0
15 mol 67 unq 0 iso 1 dist 7.65646 5.32316 5.70192 7.64337 8.96498 3.77705 numMergedOcc 0
16 mol 67 unq 1 iso 0 dist 5.70192 5.32316 7.65646 11.7466 7.5228 10.1845 numMergedOcc 0
17 mol 67 unq 1 iso 1 dist 7.65646 5.32316 5.70192 10.1845 7.5228 11.7466 numMergedOcc 0
18 mol 76 unq 0 iso 0 dist 8.6411 3.94577 8.94956 6.69911 9.40363 3.94216 numMergedOcc 0
19 mol 76 unq 0 iso 1 dist 8.94956 3.94577 8.6411 3.94216 9.40363 6.69911 numMergedOcc 0
20 mol 78 unq 0 iso 0 dist 9.15288 10.0477 9.4909 7.72904 5.47706 11.0011 numMergedOcc 0
21 mol 78 unq 0 iso 1 dist 9.4909 10.0477 9.15288 11.0011 5.47706 7.72904 numMergedOcc 0
22 mol 78 unq 1 iso 0 dist 9.15288 10.0477 9.4909 13.6432 8.89842 10.0477 numMergedOcc 0
23 mol 78 unq 1 iso 1 dist 9.4909 10.0477 9.15288 10.0477 8.89842 13.6432 numMergedOcc 0
24 mol 78 unq 2 iso 0 dist 9.15288 10.0477 9.4909 9.64221 8.07568 16.0481 numMergedOcc 0
25 mol 78 unq 2 iso 1 dist 9.4909 10.0477 9.15288 16.0481 8.07568 9.64221 numMergedOcc 0
26 mol 119 unq 0 iso 0 dist 8.95838 15.0412 9.47892 5.99531 6.55202 13.9667 numMergedOcc 0
27 mol 119 unq 0 iso 1 dist 9.47892 15.0412 8.95838 13.9667 6.55202 5.99531 numMergedOcc 0
28 mol 119 unq 1 iso 0 dist 8.95838 15.0412 9.47892 11.2265 9.08536 15.453 numMergedOcc 0
29 mol 119 unq 1 iso 1 dist 9.47892 15.0412 8.95838 15.453 9.08536 11.2265 numMergedOcc 0
30 mol 143 unq 0 iso 0 dist 9.43335 15.2469 9.9492 5.36037 7.05845 15.3503 numMergedOcc 0
31 mol 143 unq 0 iso 1 dist 9.9492 15.2469 9.43335 15.3503 7.05845 5.36037 numMergedOcc 0
32 mol 155 unq 0 iso 0 dist 8.02593 9.95765 8.77391 5.05961 5.36254 5.68679 numMergedOcc 0
33 mol 155 unq 0 iso 1 dist 8.77391 9.95765 8.02593 5.68679 5.36254 5.05961 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 6.17129 6.7732 5.83596 7.19461 9.09234 11.195 numMergedOcc 0
35 mol 181 unq 0 iso 1 dist 5.83596 6.7732 6.17129 11.195 9.09234 7.19461 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 6.17129 6.7732 5.83596 9.77747 6.76746 4.76079 numMergedOcc 0
37 mol 181 unq 1 iso 1 dist 5.83596 6.7732 6.17129 4.76079 6.76746 9.77747 numMergedOcc 0
38 mol 181 unq 2 iso 0 dist 6.17129 6.7732 5.83596 10.0615 8.92098 6.38851 numMergedOcc 0
39 mol 181 unq 2 iso 1 dist 5.83596 6.7732 6.17129 6.38851 8.92098 10.0615 numMergedOcc 0
40 mol 197 unq 0 iso 0 dist 8.32685 5.3979 6.74777 15.7632 9.27218 15.6628 numMergedOcc 0
41 mol 197 unq 0 iso 1 dist 6.74777 5.3979 8.32685 15.6628 9.27218 15.7632 numMergedOcc 0
42 mol 197 unq 1 iso 0 dist 8.32685 9.51831 9.62514 15.7632 9.27218 18.7224 numMergedOcc 0
43 mol 197 unq 1 iso 1 dist 9.62514 9.51831 8.32685 18.7224 9.27218 15.7632 numMergedOcc 0
44 mol 197 unq 1 iso 0 dist 6.74777 4.66266 9.62514 15.6628 9.27218 18.7224 numMergedOcc 0
45 mol 197 unq 1 iso 1 dist 9.62514 4.66266 6.74777 18.7224 9.27218 15.6628 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 9.94175 13.7433 8.81534 10.2069 9.38131 16.1646 numMergedOcc 0
47 mol 238 unq 0 iso 1 dist 8.81534 13.7433 9.94175 16.1646 9.38131 10.2069 numMergedOcc 0
48 mol 282 unq 0 iso 0 dist 9.20119 12.2772 8.96997 10.9015 7.52924 7.77671 numMergedOcc 0
49 mol 282 unq 0 iso 1 dist 8.96997 12.2772 9.20119 7.77671 7.52924 10.9015 numMergedOcc 0
