0 mol 1 unq 0 iso 0 dist 9.48433 4.93997 8.27735 10.1549 9.00903 5.27206 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.61114 5.44507 6.60918 6.50294 4.86568 5.05215 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.46842 6.50893 6.00307 13.3513 7.57578 7.95074 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.46842 6.50893 6.00307 14.4516 7.17969 10.3928 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 7.36475 4.63832 9.32453 5.66392 6.97941 8.18176 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 8.14057 9.91873 6.31203 7.39819 5.83409 4.53359 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 8.06457 10.9587 8.55238 4.165 7.88289 7.30086 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 8.06457 10.9587 8.55238 7.84998 9.01083 10.7376 numMergedOcc 0
8 mol 95 unq 2 iso 0 dist 8.06457 12.2228 9.85406 4.165 7.88289 10.2242 numMergedOcc 0
9 mol 95 unq 3 iso 0 dist 8.06457 12.2228 9.85406 7.84998 9.01083 16.7843 numMergedOcc 0
10 mol 95 unq 4 iso 0 dist 8.06457 6.35671 5.76199 4.165 7.88289 5.58096 numMergedOcc 0
11 mol 95 unq 5 iso 0 dist 8.06457 6.35671 5.76199 7.84998 9.01083 11.5715 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 9.41521 10.7979 8.20009 11.2541 8.75408 10.7527 numMergedOcc 0
13 mol 120 unq 1 iso 0 dist 9.41521 10.7979 8.20009 8.90504 6.44653 5.6257 numMergedOcc 0
14 mol 120 unq 2 iso 0 dist 9.41521 6.76794 8.14799 11.2541 8.75408 9.8469 numMergedOcc 0
15 mol 120 unq 3 iso 0 dist 9.41521 6.76794 8.14799 8.90504 6.44653 5.0256 numMergedOcc 0
16 mol 197 unq 0 iso 0 dist 9.00273 6.73386 9.14737 12.3192 8.56633 9.23779 numMergedOcc 0
17 mol 197 unq 1 iso 0 dist 7.19387 12.9164 9.14737 11.7609 8.56633 9.23779 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 9.65951 6.43379 6.20646 11.5989 7.10633 5.21426 numMergedOcc 0
19 mol 204 unq 1 iso 0 dist 9.65951 6.43379 6.20646 9.99471 8.51516 8.35604 numMergedOcc 0
20 mol 204 unq 2 iso 0 dist 9.65951 15.1056 6.73266 11.5989 7.10633 5.57112 numMergedOcc 0
21 mol 204 unq 3 iso 0 dist 9.65951 15.1056 6.73266 9.99471 8.51516 12.1292 numMergedOcc 0
22 mol 204 unq 4 iso 0 dist 9.14829 4.88222 6.20646 6.73339 7.10633 5.21426 numMergedOcc 0
23 mol 204 unq 5 iso 0 dist 9.14829 4.88222 6.20646 13.2127 8.51516 8.35604 numMergedOcc 0
24 mol 204 unq 6 iso 0 dist 9.14829 11.2409 6.73266 6.73339 7.10633 5.57112 numMergedOcc 0
25 mol 204 unq 7 iso 0 dist 9.14829 11.2409 6.73266 13.2127 8.51516 12.1292 numMergedOcc 0
26 mol 229 unq 0 iso 0 dist 7.81415 5.57953 8.52933 5.6419 9.06952 10.568 numMergedOcc 0
27 mol 234 unq 0 iso 0 dist 8.58958 5.72206 6.15754 16.0172 8.34494 11.8245 numMergedOcc 0
28 mol 234 unq 1 iso 0 dist 8.58958 5.72206 6.15754 14.7629 6.56247 12.4455 numMergedOcc 0
29 mol 234 unq 2 iso 0 dist 8.58958 5.72206 6.15754 13.5847 9.36357 14.0876 numMergedOcc 0
30 mol 234 unq 3 iso 0 dist 8.58958 11.3977 6.6281 16.0172 8.34494 6.65785 numMergedOcc 0
31 mol 234 unq 4 iso 0 dist 8.58958 11.3977 6.6281 14.7629 6.56247 10.0624 numMergedOcc 0
32 mol 234 unq 5 iso 0 dist 8.58958 11.3977 6.6281 13.5847 9.36357 13.9869 numMergedOcc 0
33 mol 234 unq 6 iso 0 dist 9.70004 5.84758 6.15754 10.9359 8.34494 11.8245 numMergedOcc 0
34 mol 234 unq 7 iso 0 dist 9.70004 5.84758 6.15754 14.3229 6.56247 12.4455 numMergedOcc 0
35 mol 234 unq 8 iso 0 dist 9.70004 5.84758 6.15754 17.5883 9.36357 14.0876 numMergedOcc 0
36 mol 234 unq 9 iso 0 dist 9.70004 4.44377 6.6281 10.9359 8.34494 6.65785 numMergedOcc 0
37 mol 234 unq 10 iso 0 dist 9.70004 4.44377 6.6281 14.3229 6.56247 10.0624 numMergedOcc 0
38 mol 234 unq 11 iso 0 dist 9.70004 4.44377 6.6281 17.5883 9.36357 13.9869 numMergedOcc 0
39 mol 234 unq 12 iso 0 dist 7.17987 5.72206 8.9413 14.7629 9.45496 12.4455 numMergedOcc 0
40 mol 234 unq 13 iso 0 dist 7.17987 5.72206 8.9413 13.5847 6.7625 14.0876 numMergedOcc 0
41 mol 234 unq 14 iso 0 dist 7.17987 10.9088 4.91961 14.7629 9.45496 11.5103 numMergedOcc 0
42 mol 234 unq 15 iso 0 dist 7.17987 10.9088 4.91961 13.5847 6.7625 4.98993 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 9.94587 6.11661 8.39522 4.3284 6.57393 4.88998 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 9.09166 4.90492 5.99187 6.74773 6.22714 5.74685 numMergedOcc 0
45 mol 238 unq 2 iso 0 dist 9.09166 4.90492 5.99187 9.48707 7.31233 5.87189 numMergedOcc 0
46 mol 253 unq 0 iso 0 dist 9.75753 9.62028 9.86979 15.0268 9.02271 7.79167 numMergedOcc 0
47 mol 264 unq 0 iso 0 dist 9.82685 5.495 9.00498 4.33194 9.17653 5.7052 numMergedOcc 0
48 mol 277 unq 0 iso 0 dist 6.86014 13.9287 9.64889 4.83355 9.7748 15.4648 numMergedOcc 0
49 mol 277 unq 1 iso 0 dist 5.97073 7.94109 9.64889 11.2857 9.7748 15.4648 numMergedOcc 0
50 mol 277 unq 2 iso 0 dist 6.49176 10.815 9.64889 14.4976 9.7748 15.4648 numMergedOcc 0
51 mol 279 unq 0 iso 0 dist 9.60619 8.0951 7.63115 9.96126 9.70696 5.82892 numMergedOcc 0
