0 mol 9 unq 0 iso 0 dist 5.71201 8.55446 10.2644 4.09467 8.59513 12.044 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 5.71201 8.55446 10.2644 6.00657 6.59312 14.2464 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 5.71201 6.59455 6.17866 4.09467 8.59513 9.77636 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 5.71201 6.59455 6.17866 6.00657 6.59312 11.0886 numMergedOcc 0
4 mol 10 unq 0 iso 0 dist 9.38807 9.17211 6.70642 4.71687 9.17574 8.79953 numMergedOcc 0
5 mol 10 unq 1 iso 0 dist 9.17211 9.38807 6.70642 4.71687 8.79953 9.17574 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 4.90592 8.16324 9.62033 4.21283 7.85986 11.0098 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 4.90592 8.16324 9.62033 4.97191 4.30252 12.496 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 9.36461 9.69752 10.2653 15.6099 7.85986 17.9863 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 9.36461 9.69752 10.2653 12.5557 4.30252 12.7273 numMergedOcc 0
10 mol 34 unq 0 iso 0 dist 6.15801 9.63403 6.47508 4.06864 8.0991 8.80175 numMergedOcc 0
11 mol 34 unq 1 iso 0 dist 6.15801 9.63403 6.47508 5.9339 9.95093 12.1965 numMergedOcc 0
12 mol 34 unq 2 iso 0 dist 6.15801 8.07314 9.89387 4.06864 8.0991 9.26549 numMergedOcc 0
13 mol 34 unq 3 iso 0 dist 6.15801 8.07314 9.89387 5.9339 9.95093 13.3317 numMergedOcc 0
14 mol 34 unq 4 iso 0 dist 9.63403 6.15801 6.47508 4.06864 8.80175 8.0991 numMergedOcc 0
15 mol 34 unq 5 iso 0 dist 9.63403 8.07314 10.4405 4.06864 8.80175 9.26549 numMergedOcc 0
16 mol 44 unq 0 iso 0 dist 7.03307 7.25707 5.25016 10.0772 6.53981 9.14809 numMergedOcc 0
17 mol 44 unq 1 iso 0 dist 7.25707 7.03307 5.25016 10.0772 9.14809 6.53981 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 8.57827 7.94453 11.7781 5.19513 9.22418 12.7241 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 8.92828 5.56627 5.37172 16.0667 8.47526 13.2907 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 5.44303 8.50562 5.37172 9.93041 8.47526 13.2907 numMergedOcc 0
21 mol 135 unq 0 iso 0 dist 9.40325 7.62606 6.35752 6.40035 8.72359 11.1851 numMergedOcc 0
22 mol 135 unq 1 iso 0 dist 9.40325 7.62606 6.35752 15.0661 7.02963 10.0795 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 9.78667 6.73983 6.33946 11.2139 4.92382 8.38715 numMergedOcc 0
24 mol 141 unq 1 iso 0 dist 9.78667 7.64956 12.8394 11.2139 4.92382 13.9606 numMergedOcc 0
25 mol 141 unq 2 iso 0 dist 8.47026 8.6387 6.33946 10.7006 4.92382 8.38715 numMergedOcc 0
26 mol 141 unq 3 iso 0 dist 6.73983 9.78667 6.33946 13.2445 8.40695 11.063 numMergedOcc 0
27 mol 141 unq 4 iso 0 dist 6.73983 9.78667 6.33946 11.2655 9.35867 13.4387 numMergedOcc 0
28 mol 141 unq 5 iso 0 dist 6.73983 7.64956 6.59975 13.2445 8.40695 11.1674 numMergedOcc 0
29 mol 141 unq 6 iso 0 dist 6.73983 7.64956 6.59975 11.2655 9.35867 9.38036 numMergedOcc 0
30 mol 141 unq 7 iso 0 dist 8.6387 8.47026 6.33946 14.0635 8.40695 11.063 numMergedOcc 0
31 mol 141 unq 8 iso 0 dist 8.6387 8.47026 6.33946 12.7431 9.35867 13.4387 numMergedOcc 0
32 mol 141 unq 9 iso 0 dist 7.64956 9.78667 12.8394 11.2655 9.38036 13.4387 numMergedOcc 0
33 mol 141 unq 10 iso 0 dist 7.64956 6.73983 6.59975 11.2655 9.38036 9.35867 numMergedOcc 0
34 mol 162 unq 0 iso 0 dist 7.14263 8.57005 10.0763 5.21512 5.67088 12.4379 numMergedOcc 0
35 mol 186 unq 0 iso 0 dist 4.5271 7.02575 6.68665 6.50208 7.37629 12.4962 numMergedOcc 0
36 mol 186 unq 1 iso 0 dist 4.5271 7.02575 6.68665 6.3786 5.68985 11.8931 numMergedOcc 0
37 mol 186 unq 2 iso 0 dist 7.02575 4.5271 6.68665 8.54557 8.2241 11.9345 numMergedOcc 0
38 mol 193 unq 0 iso 0 dist 8.43187 7.8141 12.9373 5.43768 6.21262 11.7052 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 9.08955 8.88664 6.85131 3.98816 9.30639 6.24462 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 9.08955 7.16819 6.76935 3.98816 9.30639 6.02034 numMergedOcc 0
41 mol 222 unq 2 iso 0 dist 8.88664 9.08955 6.85131 3.98816 6.24462 9.30639 numMergedOcc 0
42 mol 222 unq 3 iso 0 dist 8.88664 7.16819 4.19322 3.98816 6.24462 6.02034 numMergedOcc 0
43 mol 222 unq 4 iso 0 dist 7.16819 9.08955 6.76935 3.98816 6.02034 9.30639 numMergedOcc 0
44 mol 222 unq 5 iso 0 dist 7.16819 8.88664 4.19322 3.98816 6.02034 6.24462 numMergedOcc 0
45 mol 232 unq 0 iso 0 dist 7.38566 8.28466 5.77703 9.61604 9.89191 9.83281 numMergedOcc 0
46 mol 237 unq 0 iso 0 dist 5.06628 6.07878 8.65228 5.20161 8.95332 10.5056 numMergedOcc 0
47 mol 237 unq 1 iso 0 dist 5.06628 7.80422 6.60537 5.20161 8.95332 12.9677 numMergedOcc 0
48 mol 282 unq 0 iso 0 dist 8.67489 8.53065 12.6015 10.6248 8.46115 18.2337 numMergedOcc 0
49 mol 285 unq 0 iso 0 dist 6.74142 8.16947 3.87957 8.03918 8.79261 10.6578 numMergedOcc 0
50 mol 285 unq 1 iso 0 dist 6.74142 8.16947 3.87957 11.1127 9.99125 10.4333 numMergedOcc 0
