0 mol 32 unq 0 iso 0 dist 7.98414 9.16481 13.2652 10.2135 7.99969 13.8141 numMergedOcc 0
1 mol 52 unq 0 iso 0 dist 8.72923 9.79797 5.14633 6.01116 6.31696 10.3447 numMergedOcc 0
2 mol 52 unq 1 iso 0 dist 6.68656 9.46119 5.14633 4.98024 6.31696 10.3447 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 6.02731 5.6359 4.09232 11.4221 7.56205 9.69044 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 6.02731 5.6359 4.09232 4.05764 4.74544 6.9103 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 5.86118 5.35145 5.26394 6.24947 9.49144 11.1957 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 8.59945 7.29121 5.98721 8.48982 6.36086 10.4315 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 8.59945 8.35847 9.66249 8.48982 6.36086 13.1938 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 6.65318 5.15951 7.60413 7.12509 6.60933 9.65809 numMergedOcc 0
9 mol 146 unq 0 iso 0 dist 6.28491 8.82192 8.9669 5.15943 8.84535 11.1134 numMergedOcc 0
10 mol 146 unq 1 iso 0 dist 6.28491 8.82192 8.9669 5.67737 8.82188 13.0837 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 8.80059 8.96534 16.2709 14.4671 7.44629 22.9388 numMergedOcc 0
12 mol 168 unq 1 iso 0 dist 8.80059 8.65328 12.6805 14.4671 7.44629 19.0785 numMergedOcc 0
13 mol 168 unq 2 iso 0 dist 8.80059 5.69346 7.61798 14.4671 7.44629 13.5658 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 8.53734 7.87612 11.4427 11.071 9.61462 18.0601 numMergedOcc 0
15 mol 171 unq 1 iso 0 dist 6.08141 5.98495 4.88147 10.3893 9.61462 13.5 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.89987 9.24772 6.39406 7.89844 6.2479 9.76212 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 9.89987 9.24772 6.39406 5.10258 6.22122 8.59874 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 9.89987 9.24772 6.39406 16.1714 7.99195 13.2783 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 8.28099 5.09756 4.03697 14.6912 7.76163 11.651 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 8.28099 5.09756 4.03697 6.15341 8.73217 6.61112 numMergedOcc 0
21 mol 186 unq 2 iso 0 dist 8.28099 7.44523 8.99937 14.6912 7.76163 16.1318 numMergedOcc 0
22 mol 186 unq 3 iso 0 dist 8.28099 7.44523 8.99937 6.15341 8.73217 11.4283 numMergedOcc 0
23 mol 196 unq 0 iso 0 dist 4.83135 9.95371 11.8216 6.85258 6.70531 16.7135 numMergedOcc 0
24 mol 196 unq 1 iso 0 dist 4.83135 9.95371 11.8216 9.99132 6.86319 15.202 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 8.70651 7.13253 4.68548 9.88635 8.50102 11.4909 numMergedOcc 0
26 mol 232 unq 1 iso 0 dist 8.70651 7.13253 4.68548 5.08111 9.40808 10.3021 numMergedOcc 0
27 mol 234 unq 0 iso 0 dist 8.88567 4.37501 10.2835 5.19951 6.30154 8.84746 numMergedOcc 0
28 mol 234 unq 1 iso 0 dist 9.45787 4.37501 11.1693 5.19951 7.32499 8.84746 numMergedOcc 0
29 mol 243 unq 0 iso 0 dist 7.24253 5.91328 10.1372 6.54531 7.49645 12.3379 numMergedOcc 0
30 mol 243 unq 1 iso 0 dist 7.24253 5.91328 10.1372 11.6229 9.9222 17.256 numMergedOcc 0
31 mol 243 unq 2 iso 0 dist 7.24253 6.02146 12.4661 6.54531 7.49645 12.1846 numMergedOcc 0
32 mol 243 unq 3 iso 0 dist 7.24253 6.02146 12.4661 11.6229 9.9222 17.4392 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 9.43704 8.34536 6.44203 6.30874 7.6595 9.17612 numMergedOcc 0
34 mol 258 unq 1 iso 0 dist 7.41653 8.34536 12.4315 6.88723 9.63959 12.7392 numMergedOcc 0
35 mol 258 unq 2 iso 0 dist 7.41653 8.34536 12.4315 7.08073 9.96262 13.4479 numMergedOcc 0
36 mol 258 unq 3 iso 0 dist 7.41653 8.34536 12.4315 11.7129 7.21311 18.85 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 9.98231 9.93282 4.47425 6.00315 7.98231 10.3406 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 9.98231 9.93282 4.47425 5.69584 7.08526 5.85442 numMergedOcc 0
39 mol 259 unq 2 iso 0 dist 9.98231 8.90555 4.10176 6.00315 7.98231 9.46361 numMergedOcc 0
40 mol 259 unq 3 iso 0 dist 9.98231 8.90555 4.10176 5.69584 7.08526 6.95511 numMergedOcc 0
