0 mol 1 unq 0 iso 0 dist 9.44115 9.99706 7.90928 5.21705 5.96833 5.06184 11.3766 5.11735 6.4181 6.86701 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 7.90928 9.99706 9.44115 5.06184 5.96833 5.21705 6.4181 5.11735 11.3766 6.86701 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.77049 5.16141 6.95341 9.99243 9.81658 12.0088 12.8762 11.4878 13.0231 5.8245 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 6.95341 5.16141 8.77049 12.0088 9.81658 9.99243 13.0231 11.4878 12.8762 5.8245 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 5.70192 5.32316 7.65646 3.77705 8.96498 7.64337 9.46247 10.331 14.1308 8.3733 numMergedOcc 0
5 mol 67 unq 0 iso 1 dist 7.65646 5.32316 5.70192 7.64337 8.96498 3.77705 14.1308 10.331 9.46247 8.3733 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.6411 3.94577 8.94956 6.69911 9.40363 3.94216 9.71952 7.18506 7.28257 8.13108 numMergedOcc 0
7 mol 76 unq 0 iso 1 dist 8.94956 3.94577 8.6411 3.94216 9.40363 6.69911 7.28257 7.18506 9.71952 8.13108 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 9.15288 10.0477 9.4909 7.72904 5.47706 11.0011 11.7809 4.92509 14.3902 6.85523 numMergedOcc 0
9 mol 78 unq 0 iso 1 dist 9.4909 10.0477 9.15288 11.0011 5.47706 7.72904 14.3902 4.92509 11.7809 6.85523 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 9.15288 10.0477 9.4909 7.72904 5.47706 11.0011 13.9595 5.22036 11.0261 8.65848 numMergedOcc 0
11 mol 78 unq 1 iso 1 dist 9.4909 10.0477 9.15288 11.0011 5.47706 7.72904 11.0261 5.22036 13.9595 8.65848 numMergedOcc 0
12 mol 78 unq 2 iso 0 dist 9.15288 10.0477 9.4909 13.6432 8.89842 10.0477 13.9595 5.22036 11.0261 7.25801 numMergedOcc 0
13 mol 78 unq 2 iso 1 dist 9.4909 10.0477 9.15288 10.0477 8.89842 13.6432 11.0261 5.22036 13.9595 7.25801 numMergedOcc 0
14 mol 78 unq 3 iso 0 dist 9.15288 10.0477 9.4909 9.64221 8.07568 16.0481 11.7809 4.92509 14.3902 5.77326 numMergedOcc 0
15 mol 78 unq 3 iso 1 dist 9.4909 10.0477 9.15288 16.0481 8.07568 9.64221 14.3902 4.92509 11.7809 5.77326 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.95838 15.0412 9.47892 11.2265 9.08536 15.453 19.6702 16.7975 22.8005 8.95212 numMergedOcc 0
17 mol 119 unq 0 iso 1 dist 9.47892 15.0412 8.95838 15.453 9.08536 11.2265 22.8005 16.7975 19.6702 8.95212 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 8.95838 15.0412 9.47892 11.2265 9.08536 15.453 13.2232 7.36192 15.3808 6.99446 numMergedOcc 0
19 mol 119 unq 1 iso 1 dist 9.47892 15.0412 8.95838 15.453 9.08536 11.2265 15.3808 7.36192 13.2232 6.99446 numMergedOcc 0
20 mol 119 unq 2 iso 0 dist 8.95838 15.0412 9.47892 11.2265 9.08536 15.453 13.3689 10.6679 19.5006 7.64052 numMergedOcc 0
21 mol 119 unq 2 iso 1 dist 9.47892 15.0412 8.95838 15.453 9.08536 11.2265 19.5006 10.6679 13.3689 7.64052 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 9.43335 15.2469 9.9492 5.36037 7.05845 15.3503 11.9443 6.01455 13.375 7.36975 numMergedOcc 0
23 mol 143 unq 0 iso 1 dist 9.9492 15.2469 9.43335 15.3503 7.05845 5.36037 13.375 6.01455 11.9443 7.36975 numMergedOcc 0
24 mol 155 unq 0 iso 0 dist 8.02593 9.95765 8.77391 5.05961 5.36254 5.68679 12.6683 8.27726 11.1867 8.97626 numMergedOcc 0
25 mol 155 unq 0 iso 1 dist 8.77391 9.95765 8.02593 5.68679 5.36254 5.05961 11.1867 8.27726 12.6683 8.97626 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 6.17129 6.7732 5.83596 7.19461 9.09234 11.195 9.84952 6.7991 10.8641 6.64173 numMergedOcc 0
27 mol 181 unq 0 iso 1 dist 5.83596 6.7732 6.17129 11.195 9.09234 7.19461 10.8641 6.7991 9.84952 6.64173 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 6.17129 6.7732 5.83596 9.77747 6.76746 4.76079 9.84952 6.7991 10.8641 9.01624 numMergedOcc 0
29 mol 181 unq 1 iso 1 dist 5.83596 6.7732 6.17129 4.76079 6.76746 9.77747 10.8641 6.7991 9.84952 9.01624 numMergedOcc 0
30 mol 181 unq 2 iso 0 dist 6.17129 6.7732 5.83596 9.77747 6.76746 4.76079 13.0935 8.35755 7.41378 5.05973 numMergedOcc 0
31 mol 181 unq 2 iso 1 dist 5.83596 6.7732 6.17129 4.76079 6.76746 9.77747 7.41378 8.35755 13.0935 5.05973 numMergedOcc 0
32 mol 181 unq 3 iso 0 dist 6.17129 6.7732 5.83596 10.0615 8.92098 6.38851 9.84952 6.7991 10.8641 9.55105 numMergedOcc 0
33 mol 181 unq 3 iso 1 dist 5.83596 6.7732 6.17129 6.38851 8.92098 10.0615 10.8641 6.7991 9.84952 9.55105 numMergedOcc 0
34 mol 197 unq 0 iso 0 dist 8.32685 5.3979 6.74777 15.7632 9.27218 15.6628 13.2177 5.2908 10.9337 9.10817 numMergedOcc 0
35 mol 197 unq 0 iso 1 dist 6.74777 5.3979 8.32685 15.6628 9.27218 15.7632 10.9337 5.2908 13.2177 9.10817 numMergedOcc 0
36 mol 197 unq 1 iso 0 dist 8.32685 5.3979 6.74777 15.7632 9.27218 15.6628 14.164 6.23998 11.7581 6.86828 numMergedOcc 0
37 mol 197 unq 1 iso 1 dist 6.74777 5.3979 8.32685 15.6628 9.27218 15.7632 11.7581 6.23998 14.164 6.86828 numMergedOcc 0
38 mol 197 unq 2 iso 0 dist 8.32685 9.51831 9.62514 15.7632 9.27218 18.7224 13.2177 5.2908 12.045 9.10817 numMergedOcc 0
39 mol 197 unq 2 iso 1 dist 9.62514 9.51831 8.32685 18.7224 9.27218 15.7632 12.045 5.2908 13.2177 9.10817 numMergedOcc 0
40 mol 197 unq 3 iso 0 dist 8.32685 9.51831 9.62514 15.7632 9.27218 18.7224 14.164 6.23998 13.6474 6.86828 numMergedOcc 0
41 mol 197 unq 3 iso 1 dist 9.62514 9.51831 8.32685 18.7224 9.27218 15.7632 13.6474 6.23998 14.164 6.86828 numMergedOcc 0
42 mol 197 unq 2 iso 0 dist 6.74777 4.66266 9.62514 15.6628 9.27218 18.7224 10.9337 5.2908 12.045 9.10817 numMergedOcc 0
43 mol 197 unq 2 iso 1 dist 9.62514 4.66266 6.74777 18.7224 9.27218 15.6628 12.045 5.2908 10.9337 9.10817 numMergedOcc 0
44 mol 197 unq 3 iso 0 dist 6.74777 4.66266 9.62514 15.6628 9.27218 18.7224 11.7581 6.23998 13.6474 6.86828 numMergedOcc 0
45 mol 197 unq 3 iso 1 dist 9.62514 4.66266 6.74777 18.7224 9.27218 15.6628 13.6474 6.23998 11.7581 6.86828 numMergedOcc 0
