0 mol 26 unq 0 iso 0 dist 9.06516 6.79475 9.56136 14.531 9.96121 17.5436 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.38156 7.79336 13.1232 13.0804 7.882 19.1781 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.38156 7.79336 13.1232 7.76895 6.016 15.0902 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 8.38156 7.08559 12.7516 13.0804 7.882 17.6334 numMergedOcc 0
4 mol 34 unq 3 iso 0 dist 8.38156 7.08559 12.7516 7.76895 6.016 14.2879 numMergedOcc 0
5 mol 34 unq 4 iso 0 dist 7.08559 8.38156 12.7516 12.6781 8.63635 19.5288 numMergedOcc 0
6 mol 34 unq 5 iso 0 dist 7.08559 7.79336 3.39994 12.6781 8.63635 11.2173 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 7.03126 7.60018 3.6461 14.2885 9.68228 13.0573 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 9.37102 5.4605 5.17981 6.31884 8.8184 6.1906 numMergedOcc 0
9 mol 72 unq 1 iso 0 dist 9.37102 5.4605 5.17981 4.64409 7.93683 6.7272 numMergedOcc 0
10 mol 72 unq 2 iso 0 dist 9.37102 6.53824 9.85358 6.31884 8.8184 7.67686 numMergedOcc 0
11 mol 72 unq 3 iso 0 dist 9.37102 6.53824 9.85358 4.64409 7.93683 9.99874 numMergedOcc 0
12 mol 72 unq 4 iso 0 dist 5.4605 9.37102 5.17981 6.31884 6.1906 8.8184 numMergedOcc 0
13 mol 72 unq 5 iso 0 dist 5.4605 9.37102 5.17981 4.64409 6.7272 7.93683 numMergedOcc 0
14 mol 72 unq 6 iso 0 dist 5.4605 6.53824 4.85556 6.31884 6.1906 7.67686 numMergedOcc 0
15 mol 72 unq 7 iso 0 dist 5.4605 6.53824 4.85556 4.64409 6.7272 9.99874 numMergedOcc 0
16 mol 72 unq 8 iso 0 dist 6.53824 9.37102 9.85358 6.31884 7.67686 8.8184 numMergedOcc 0
17 mol 72 unq 9 iso 0 dist 6.53824 5.4605 4.85556 6.31884 7.67686 6.1906 numMergedOcc 0
18 mol 72 unq 10 iso 0 dist 8.8184 6.1906 5.17981 6.31884 9.37102 5.4605 numMergedOcc 0
19 mol 72 unq 11 iso 0 dist 8.8184 6.1906 5.17981 6.08893 7.93683 6.7272 numMergedOcc 0
20 mol 72 unq 12 iso 0 dist 8.8184 8.70809 8.549 6.31884 9.37102 8.94365 numMergedOcc 0
21 mol 72 unq 13 iso 0 dist 8.8184 8.70809 8.549 6.08893 7.93683 11.3404 numMergedOcc 0
22 mol 72 unq 14 iso 0 dist 8.8184 7.67686 9.85358 6.31884 9.37102 6.53824 numMergedOcc 0
23 mol 72 unq 15 iso 0 dist 8.8184 7.67686 9.85358 6.08893 7.93683 9.99874 numMergedOcc 0
24 mol 72 unq 16 iso 0 dist 6.1906 8.8184 5.17981 6.31884 5.4605 9.37102 numMergedOcc 0
25 mol 72 unq 17 iso 0 dist 6.1906 8.8184 5.17981 6.08893 6.7272 7.93683 numMergedOcc 0
26 mol 72 unq 18 iso 0 dist 6.1906 8.70809 4.86472 6.31884 5.4605 8.94365 numMergedOcc 0
27 mol 72 unq 19 iso 0 dist 6.1906 8.70809 4.86472 6.08893 6.7272 11.3404 numMergedOcc 0
28 mol 72 unq 20 iso 0 dist 6.1906 7.67686 4.85556 6.31884 5.4605 6.53824 numMergedOcc 0
29 mol 72 unq 21 iso 0 dist 6.1906 7.67686 4.85556 6.08893 6.7272 9.99874 numMergedOcc 0
30 mol 72 unq 22 iso 0 dist 7.67686 8.8184 9.85358 6.31884 6.53824 9.37102 numMergedOcc 0
31 mol 72 unq 23 iso 0 dist 7.67686 6.1906 4.85556 6.31884 6.53824 5.4605 numMergedOcc 0
32 mol 72 unq 24 iso 0 dist 7.67686 8.70809 3.44489 6.31884 6.53824 8.94365 numMergedOcc 0
33 mol 72 unq 25 iso 0 dist 7.93683 6.7272 5.17981 4.64409 9.37102 5.4605 numMergedOcc 0
34 mol 72 unq 26 iso 0 dist 7.93683 6.7272 5.17981 6.08893 8.8184 6.1906 numMergedOcc 0
35 mol 72 unq 27 iso 0 dist 7.93683 7.64009 5.56281 4.64409 9.37102 10.8476 numMergedOcc 0
36 mol 72 unq 28 iso 0 dist 7.93683 7.64009 5.56281 6.08893 8.8184 11.5204 numMergedOcc 0
37 mol 72 unq 29 iso 0 dist 6.7272 7.93683 5.17981 4.64409 5.4605 9.37102 numMergedOcc 0
38 mol 72 unq 30 iso 0 dist 6.7272 7.93683 5.17981 6.08893 6.1906 8.8184 numMergedOcc 0
39 mol 72 unq 31 iso 0 dist 6.7272 7.64009 9.20237 4.64409 5.4605 10.8476 numMergedOcc 0
40 mol 72 unq 32 iso 0 dist 6.7272 7.64009 9.20237 6.08893 6.1906 11.5204 numMergedOcc 0
41 mol 119 unq 0 iso 0 dist 9.08536 6.55202 12.7135 8.58342 6.13374 14.4956 numMergedOcc 0
42 mol 143 unq 0 iso 0 dist 8.18023 7.46803 10.1474 10.2334 7.05845 10.55 numMergedOcc 0
43 mol 194 unq 0 iso 0 dist 6.11135 7.10155 5.31005 7.46053 6.54481 9.48418 numMergedOcc 0
44 mol 194 unq 1 iso 0 dist 6.11135 7.10155 5.31005 7.61485 8.03403 12.2026 numMergedOcc 0
45 mol 225 unq 0 iso 0 dist 8.91356 9.57455 9.9109 15.6443 9.59574 18.5825 numMergedOcc 0
46 mol 234 unq 0 iso 0 dist 8.27411 6.96257 15.1017 5.32617 7.36208 9.73255 numMergedOcc 0
47 mol 234 unq 1 iso 0 dist 6.96257 8.27411 15.1017 6.31377 6.86569 11.4709 numMergedOcc 0
48 mol 238 unq 0 iso 0 dist 5.43613 7.24334 11.1752 6.34909 7.06768 13.3491 numMergedOcc 0
49 mol 238 unq 1 iso 0 dist 7.24334 5.43613 11.1752 9.50847 7.39547 9.99105 numMergedOcc 0
50 mol 238 unq 2 iso 0 dist 7.06768 9.82327 3.46869 6.34909 5.43613 8.82776 numMergedOcc 0
51 mol 238 unq 3 iso 0 dist 7.06768 9.08687 8.33582 6.34909 5.43613 9.8744 numMergedOcc 0
52 mol 238 unq 4 iso 0 dist 9.08687 9.82327 9.64248 13.7867 9.38131 16.898 numMergedOcc 0
53 mol 238 unq 5 iso 0 dist 9.08687 9.82327 9.64248 13.0634 6.85253 12.1425 numMergedOcc 0
54 mol 238 unq 6 iso 0 dist 9.08687 7.06768 8.33582 13.7867 9.38131 14.4363 numMergedOcc 0
55 mol 238 unq 7 iso 0 dist 9.08687 7.06768 8.33582 13.0634 6.85253 10.529 numMergedOcc 0
56 mol 292 unq 0 iso 0 dist 8.73515 6.1905 8.21724 12.8693 9.08193 15.9434 numMergedOcc 0
57 mol 292 unq 1 iso 0 dist 8.73515 5.84792 3.57128 12.8693 9.08193 11.3039 numMergedOcc 0
