0 mol 1 unq 0 iso 0 dist 8.83387 4.1868 9.85305 7.58747 9.21329 10.2917 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 9.85305 4.1868 8.83387 10.2917 9.21329 7.58747 numMergedOcc 0
2 mol 1 unq 1 iso 0 dist 8.83387 4.1868 9.85305 6.38325 8.54277 4.69498 numMergedOcc 0
3 mol 1 unq 1 iso 1 dist 9.85305 4.1868 8.83387 4.69498 8.54277 6.38325 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 6.14086 5.52655 6.76158 4.81564 5.42412 6.18197 numMergedOcc 0
5 mol 28 unq 0 iso 1 dist 6.76158 5.52655 6.14086 6.18197 5.42412 4.81564 numMergedOcc 0
6 mol 28 unq 1 iso 0 dist 6.31487 5.52655 7.423 4.81564 8.09862 6.18197 numMergedOcc 0
7 mol 28 unq 1 iso 1 dist 7.423 5.52655 6.31487 6.18197 8.09862 4.81564 numMergedOcc 0
8 mol 28 unq 2 iso 0 dist 6.31487 5.52655 7.423 12.7577 8.97167 13.6562 numMergedOcc 0
9 mol 28 unq 2 iso 1 dist 7.423 5.52655 6.31487 13.6562 8.97167 12.7577 numMergedOcc 0
10 mol 28 unq 3 iso 0 dist 7.07851 5.52655 5.89257 4.81564 8.89114 6.18197 numMergedOcc 0
11 mol 28 unq 3 iso 1 dist 5.89257 5.52655 7.07851 6.18197 8.89114 4.81564 numMergedOcc 0
12 mol 28 unq 4 iso 0 dist 7.07851 5.52655 5.89257 12.7577 8.8182 13.6562 numMergedOcc 0
13 mol 28 unq 4 iso 1 dist 5.89257 5.52655 7.07851 13.6562 8.8182 12.7577 numMergedOcc 0
14 mol 32 unq 0 iso 0 dist 7.52145 12.7332 8.35776 5.64731 7.72377 12.3204 numMergedOcc 0
15 mol 32 unq 0 iso 1 dist 8.35776 12.7332 7.52145 12.3204 7.72377 5.64731 numMergedOcc 0
16 mol 62 unq 0 iso 0 dist 5.23167 4.92946 7.47607 4.29159 7.01397 7.59441 numMergedOcc 0
17 mol 62 unq 0 iso 1 dist 7.47607 4.92946 5.23167 7.59441 7.01397 4.29159 numMergedOcc 0
18 mol 135 unq 0 iso 0 dist 6.08242 4.67118 5.60595 4.64546 8.18584 7.61563 numMergedOcc 0
19 mol 135 unq 0 iso 1 dist 5.60595 4.67118 6.08242 7.61563 8.18584 4.64546 numMergedOcc 0
20 mol 135 unq 1 iso 0 dist 6.08242 4.67118 5.60595 9.29013 9.85803 8.84813 numMergedOcc 0
21 mol 135 unq 1 iso 1 dist 5.60595 4.67118 6.08242 8.84813 9.85803 9.29013 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 6.80203 7.10314 8.00826 6.94063 8.82481 4.53761 numMergedOcc 0
23 mol 171 unq 0 iso 1 dist 8.00826 7.10314 6.80203 4.53761 8.82481 6.94063 numMergedOcc 0
24 mol 176 unq 0 iso 0 dist 6.32254 4.48841 8.89556 13.0176 9.60931 14.8578 numMergedOcc 0
25 mol 176 unq 0 iso 1 dist 8.89556 4.48841 6.32254 14.8578 9.60931 13.0176 numMergedOcc 0
26 mol 182 unq 0 iso 0 dist 8.10542 9.70115 6.78641 6.94643 8.7486 7.78206 numMergedOcc 0
27 mol 182 unq 0 iso 1 dist 6.78641 9.70115 8.10542 7.78206 8.7486 6.94643 numMergedOcc 0
28 mol 182 unq 1 iso 0 dist 8.10542 9.70115 6.78641 10.0826 9.06707 3.94722 numMergedOcc 0
29 mol 182 unq 1 iso 1 dist 6.78641 9.70115 8.10542 3.94722 9.06707 10.0826 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 9.20906 14.8724 9.03099 10.2082 5.36518 8.13583 numMergedOcc 0
31 mol 266 unq 0 iso 1 dist 9.03099 14.8724 9.20906 8.13583 5.36518 10.2082 numMergedOcc 0
32 mol 266 unq 1 iso 0 dist 9.20906 14.8724 9.03099 13.6949 9.11585 4.80695 numMergedOcc 0
33 mol 266 unq 1 iso 1 dist 9.03099 14.8724 9.20906 4.80695 9.11585 13.6949 numMergedOcc 0
34 mol 277 unq 0 iso 0 dist 7.34927 10.7983 7.54315 4.00063 9.07744 9.31316 numMergedOcc 0
35 mol 277 unq 0 iso 1 dist 7.54315 10.7983 7.34927 9.31316 9.07744 4.00063 numMergedOcc 0
36 mol 277 unq 1 iso 0 dist 7.34927 10.7983 7.54315 13.5537 8.42892 4.15308 numMergedOcc 0
37 mol 277 unq 1 iso 1 dist 7.54315 10.7983 7.34927 4.15308 8.42892 13.5537 numMergedOcc 0
38 mol 277 unq 2 iso 0 dist 7.34927 10.7983 7.54315 12.5125 8.90967 14.7276 numMergedOcc 0
39 mol 277 unq 2 iso 1 dist 7.54315 10.7983 7.34927 14.7276 8.90967 12.5125 numMergedOcc 0
40 mol 281 unq 0 iso 0 dist 8.78416 9.67318 7.82358 13.3861 9.39268 3.90611 numMergedOcc 0
41 mol 281 unq 0 iso 1 dist 7.82358 9.67318 8.78416 3.90611 9.39268 13.3861 numMergedOcc 0
42 mol 281 unq 1 iso 0 dist 8.78416 9.67318 7.82358 8.97987 9.06888 13.4167 numMergedOcc 0
43 mol 281 unq 1 iso 1 dist 7.82358 9.67318 8.78416 13.4167 9.06888 8.97987 numMergedOcc 0
44 mol 281 unq 2 iso 0 dist 9.22428 11.368 7.95687 8.97987 6.62682 5.33399 numMergedOcc 0
45 mol 281 unq 2 iso 1 dist 7.95687 11.368 9.22428 5.33399 6.62682 8.97987 numMergedOcc 0
