0 mol 10 unq 0 iso 0 dist 9.6309 4.96625 8.76873 13.2906 8.3613 11.4971 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 8.76873 4.96625 9.6309 11.4971 8.3613 13.2906 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 9.6309 10.304 9.58981 13.2906 8.3613 6.38082 numMergedOcc 0
3 mol 10 unq 1 iso 1 dist 9.58981 10.304 9.6309 6.38082 8.3613 13.2906 numMergedOcc 0
4 mol 10 unq 1 iso 0 dist 8.76873 7.00368 9.58981 11.4971 8.3613 6.38082 numMergedOcc 0
5 mol 10 unq 1 iso 1 dist 9.58981 7.00368 8.76873 6.38082 8.3613 11.4971 numMergedOcc 0
6 mol 20 unq 0 iso 0 dist 8.93826 3.92155 7.17695 4.75787 6.09002 6.21227 numMergedOcc 0
7 mol 20 unq 0 iso 1 dist 7.17695 3.92155 8.93826 6.21227 6.09002 4.75787 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 8.48827 3.93133 8.03895 7.17843 7.91148 4.4651 numMergedOcc 0
9 mol 78 unq 0 iso 1 dist 8.03895 3.93133 8.48827 4.4651 7.91148 7.17843 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 7.14048 3.93133 5.68873 7.17843 6.59794 4.4651 numMergedOcc 0
11 mol 78 unq 1 iso 1 dist 5.68873 3.93133 7.14048 4.4651 6.59794 7.17843 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 8.23055 3.58204 8.30746 4.56886 4.17838 5.1219 numMergedOcc 0
13 mol 92 unq 0 iso 1 dist 8.30746 3.58204 8.23055 5.1219 4.17838 4.56886 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 4.82356 7.57921 8.83476 4.84607 5.78814 11.981 numMergedOcc 0
15 mol 133 unq 0 iso 1 dist 8.83476 7.57921 4.82356 11.981 5.78814 4.84607 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 8.22722 10.5425 8.52036 17.2785 9.72387 16.4238 numMergedOcc 0
17 mol 133 unq 1 iso 1 dist 8.52036 10.5425 8.22722 16.4238 9.72387 17.2785 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 9.48934 9.03348 6.41183 6.4437 9.3273 5.91683 numMergedOcc 0
19 mol 141 unq 0 iso 1 dist 6.41183 9.03348 9.48934 5.91683 9.3273 6.4437 numMergedOcc 0
20 mol 167 unq 0 iso 0 dist 8.95296 6.60061 6.10021 6.32863 5.36671 5.48405 numMergedOcc 0
21 mol 167 unq 0 iso 1 dist 6.10021 6.60061 8.95296 5.48405 5.36671 6.32863 numMergedOcc 0
22 mol 180 unq 0 iso 0 dist 7.58661 5.33436 5.81023 6.54937 9.63576 6.91082 numMergedOcc 0
23 mol 180 unq 0 iso 1 dist 5.81023 5.33436 7.58661 6.91082 9.63576 6.54937 numMergedOcc 0
24 mol 180 unq 1 iso 0 dist 7.58661 6.10537 7.80553 6.54937 9.63576 10.1423 numMergedOcc 0
25 mol 180 unq 1 iso 1 dist 7.80553 6.10537 7.58661 10.1423 9.63576 6.54937 numMergedOcc 0
26 mol 180 unq 1 iso 0 dist 5.81023 3.984 7.80553 6.91082 9.63576 10.1423 numMergedOcc 0
27 mol 180 unq 1 iso 1 dist 7.80553 3.984 5.81023 10.1423 9.63576 6.91082 numMergedOcc 0
28 mol 183 unq 0 iso 0 dist 7.16035 3.75614 9.61725 10.0008 9.96536 9.95614 numMergedOcc 0
29 mol 183 unq 0 iso 1 dist 9.61725 3.75614 7.16035 9.95614 9.96536 10.0008 numMergedOcc 0
30 mol 183 unq 1 iso 0 dist 7.16035 9.96454 9.01531 10.0008 9.96536 9.81623 numMergedOcc 0
31 mol 183 unq 1 iso 1 dist 9.01531 9.96454 7.16035 9.81623 9.96536 10.0008 numMergedOcc 0
32 mol 183 unq 1 iso 0 dist 9.61725 12.8714 9.01531 9.95614 9.96536 9.81623 numMergedOcc 0
33 mol 183 unq 1 iso 1 dist 9.01531 12.8714 9.61725 9.81623 9.96536 9.95614 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 8.93485 4.20051 5.66636 4.2475 9.31158 6.8901 numMergedOcc 0
35 mol 205 unq 0 iso 1 dist 5.66636 4.20051 8.93485 6.8901 9.31158 4.2475 numMergedOcc 0
36 mol 232 unq 0 iso 0 dist 8.54126 9.60695 7.64079 5.70808 8.60731 4.86949 numMergedOcc 0
37 mol 232 unq 0 iso 1 dist 7.64079 9.60695 8.54126 4.86949 8.60731 5.70808 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 8.72101 12.609 5.11998 4.88964 9.54359 14.2115 numMergedOcc 0
39 mol 277 unq 0 iso 1 dist 5.11998 12.609 8.72101 14.2115 9.54359 4.88964 numMergedOcc 0
40 mol 277 unq 1 iso 0 dist 8.72101 12.609 5.11998 6.76786 5.69112 10.8075 numMergedOcc 0
41 mol 277 unq 1 iso 1 dist 5.11998 12.609 8.72101 10.8075 5.69112 6.76786 numMergedOcc 0
42 mol 277 unq 2 iso 0 dist 8.75619 12.609 5.79925 6.76786 7.2091 10.8075 numMergedOcc 0
43 mol 277 unq 2 iso 1 dist 5.79925 12.609 8.75619 10.8075 7.2091 6.76786 numMergedOcc 0
44 mol 277 unq 3 iso 0 dist 8.75619 15.6996 8.55906 6.76786 7.2091 12.9535 numMergedOcc 0
45 mol 277 unq 3 iso 1 dist 8.55906 15.6996 8.75619 12.9535 7.2091 6.76786 numMergedOcc 0
46 mol 277 unq 4 iso 0 dist 8.75619 9.36807 5.55523 6.76786 7.2091 11.2385 numMergedOcc 0
47 mol 277 unq 4 iso 1 dist 5.55523 9.36807 8.75619 11.2385 7.2091 6.76786 numMergedOcc 0
48 mol 277 unq 3 iso 0 dist 5.79925 11.9501 8.55906 10.8075 7.2091 12.9535 numMergedOcc 0
49 mol 277 unq 3 iso 1 dist 8.55906 11.9501 5.79925 12.9535 7.2091 10.8075 numMergedOcc 0
50 mol 277 unq 4 iso 0 dist 5.79925 9.40918 5.55523 10.8075 7.2091 11.2385 numMergedOcc 0
51 mol 277 unq 4 iso 1 dist 5.55523 9.40918 5.79925 11.2385 7.2091 10.8075 numMergedOcc 0
52 mol 277 unq 4 iso 0 dist 8.55906 9.84246 5.55523 12.9535 7.2091 11.2385 numMergedOcc 0
53 mol 277 unq 4 iso 1 dist 5.55523 9.84246 8.55906 11.2385 7.2091 12.9535 numMergedOcc 0
54 mol 281 unq 0 iso 0 dist 9.13909 10.3921 4.29351 13.6632 7.33334 7.74992 numMergedOcc 0
55 mol 281 unq 0 iso 1 dist 4.29351 10.3921 9.13909 7.74992 7.33334 13.6632 numMergedOcc 0
