0 mol 6 unq 0 iso 0 dist 9.38351 9.47965 4.59751 13.9523 6.36157 10.7638 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 6.73481 9.12482 6.31736 9.50033 7.50258 12.5611 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.05728 7.40694 6.39496 9.57046 9.40644 14.1606 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.05728 7.40694 6.39496 4.91237 5.35252 8.80801 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 8.55004 6.50216 13.7524 7.24502 8.84151 13.5325 numMergedOcc 0
5 mol 51 unq 1 iso 0 dist 8.55004 9.83073 10.3853 7.24502 8.84151 13.2357 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 8.34804 6.23298 10.2575 10.7182 8.27009 11.1591 numMergedOcc 0
7 mol 67 unq 1 iso 0 dist 8.34804 6.23298 10.2575 5.66613 5.80736 10.5819 numMergedOcc 0
8 mol 87 unq 0 iso 0 dist 6.97882 5.87906 5.6513 6.27329 5.62336 8.29967 numMergedOcc 0
9 mol 87 unq 1 iso 0 dist 9.4868 5.87906 7.41574 15.7737 9.90256 16.1361 numMergedOcc 0
10 mol 87 unq 2 iso 0 dist 9.4868 5.87906 7.41574 6.27329 5.63748 8.29967 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 5.37819 5.57712 5.88809 12.1737 8.15664 12.0355 numMergedOcc 0
12 mol 101 unq 0 iso 0 dist 7.22737 5.5199 6.63446 6.01775 7.1859 9.39649 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 9.22651 8.07962 6.43211 12.1115 8.03869 13.5823 numMergedOcc 0
14 mol 102 unq 1 iso 0 dist 9.22651 9.54857 6.93587 12.1115 8.03869 13.3886 numMergedOcc 0
15 mol 102 unq 2 iso 0 dist 5.32892 7.58908 6.43211 7.26176 8.03869 13.5823 numMergedOcc 0
16 mol 102 unq 3 iso 0 dist 5.32892 9.32058 6.93587 7.26176 8.03869 13.3886 numMergedOcc 0
17 mol 103 unq 0 iso 0 dist 6.36357 9.81273 15.288 10.4989 6.79959 19.7237 numMergedOcc 0
18 mol 103 unq 1 iso 0 dist 6.36357 6.67575 8.47667 10.4989 6.79959 11.6803 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 9.34752 9.2167 12.8972 10.0813 5.2184 15.8979 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 9.34752 6.67306 5.7998 10.0813 5.2184 9.53895 numMergedOcc 0
21 mol 123 unq 0 iso 0 dist 7.15869 9.28454 7.44999 8.29205 9.92281 15.2368 numMergedOcc 0
22 mol 123 unq 1 iso 0 dist 7.15869 7.97266 7.70166 8.29205 9.92281 15.2226 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 9.96416 9.63488 15.8182 5.9683 5.79195 14.5752 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 7.17051 9.63488 13.6469 5.9683 9.2759 14.5752 numMergedOcc 0
25 mol 133 unq 2 iso 0 dist 5.9962 9.63488 6.63023 5.9683 8.76088 14.5752 numMergedOcc 0
26 mol 133 unq 3 iso 0 dist 8.61448 9.31907 6.63023 13.8877 8.76088 14.5752 numMergedOcc 0
27 mol 139 unq 0 iso 0 dist 5.77343 8.27507 6.5333 4.19005 8.78382 8.66615 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 5.31333 9.89709 9.79728 4.43567 9.2254 12.9319 numMergedOcc 0
29 mol 204 unq 0 iso 0 dist 8.40718 5.67196 11.2342 12.4189 6.20044 15.675 numMergedOcc 0
30 mol 204 unq 1 iso 0 dist 8.40718 5.67196 11.2342 12.8445 8.41232 17.678 numMergedOcc 0
31 mol 244 unq 0 iso 0 dist 9.53211 9.91271 6.33602 11.4783 7.43391 9.59814 numMergedOcc 0
32 mol 244 unq 1 iso 0 dist 9.53211 9.91271 6.33602 4.30655 7.79787 8.92083 numMergedOcc 0
33 mol 250 unq 0 iso 0 dist 5.43868 7.55313 7.05949 9.96947 8.51703 15.3584 numMergedOcc 0
34 mol 250 unq 1 iso 0 dist 5.43868 8.62074 4.69451 9.96947 8.51703 11.4678 numMergedOcc 0
35 mol 250 unq 2 iso 0 dist 9.80833 7.55313 13.2963 9.96947 5.07895 15.3584 numMergedOcc 0
36 mol 250 unq 3 iso 0 dist 9.80833 8.62074 10.0219 9.96947 5.07895 11.4678 numMergedOcc 0
37 mol 258 unq 0 iso 0 dist 9.17911 6.18894 11.4659 15.4705 8.10903 18.7483 numMergedOcc 0
38 mol 258 unq 1 iso 0 dist 9.17911 6.18894 11.4659 13.8539 7.25618 15.748 numMergedOcc 0
39 mol 258 unq 2 iso 0 dist 9.52903 9.4886 12.9877 5.66907 8.10903 14.4707 numMergedOcc 0
40 mol 258 unq 3 iso 0 dist 9.52903 9.4886 12.9877 9.6053 7.25618 16.7565 numMergedOcc 0
41 mol 265 unq 0 iso 0 dist 9.81689 6.98812 5.57706 10.531 7.52632 9.74602 numMergedOcc 0
42 mol 266 unq 0 iso 0 dist 9.36806 9.33447 5.69904 4.39397 9.39714 11.0568 numMergedOcc 0
43 mol 266 unq 1 iso 0 dist 7.51446 3.90274 5.69904 9.47559 9.39714 11.0568 numMergedOcc 0
44 mol 266 unq 2 iso 0 dist 7.51446 7.49024 11.0588 9.47559 9.39714 14.1312 numMergedOcc 0
45 mol 273 unq 0 iso 0 dist 6.73794 8.78928 4.62586 3.92089 5.78262 9.57582 numMergedOcc 0
46 mol 273 unq 1 iso 0 dist 6.73794 8.78928 4.62586 12.0094 7.6489 11.4985 numMergedOcc 0
47 mol 287 unq 0 iso 0 dist 7.47179 8.34389 10.9407 6.53276 6.45597 13.1573 numMergedOcc 0
48 mol 288 unq 0 iso 0 dist 7.47179 8.34389 10.9407 6.53276 6.45597 13.1573 numMergedOcc 0
49 mol 289 unq 0 iso 0 dist 7.47179 8.34389 10.9407 6.53276 6.45597 13.1573 numMergedOcc 0
50 mol 294 unq 0 iso 0 dist 5.71656 5.27236 7.05161 8.43044 9.22572 9.95771 numMergedOcc 0
