0 mol 25 unq 0 iso 0 dist 4.71964 6.44262 7.6114 9.07927 6.10919 7.31767 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 4.71964 6.44262 7.6114 8.50987 5.86705 6.03987 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 5.40287 5.52874 5.38524 10.079 5.61579 6.81627 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 5.40287 9.02602 8.69057 10.079 5.61579 7.32874 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 5.82829 5.44752 6.56212 10.9472 7.31539 7.17396 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 5.82829 5.44752 6.56212 13.8756 11.1607 9.21998 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 9.54537 4.31214 7.80898 12.6459 12.1193 9.36773 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 5.15951 7.41993 7.86666 14.3528 13.0886 7.34473 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 6.53198 13.9402 8.80934 10.4012 5.70579 5.86073 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 8.15473 10.0436 8.19331 8.98848 3.55765 7.83136 numMergedOcc 0
10 mol 117 unq 1 iso 0 dist 8.15473 6.81312 8.85711 8.98848 3.55765 7.0603 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 8.25027 4.28997 7.22643 11.7225 6.9945 8.22656 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 8.25027 4.28997 7.22643 9.45717 4.19723 6.82262 numMergedOcc 0
13 mol 142 unq 0 iso 0 dist 9.64785 12.444 7.81207 6.91573 4.67662 9.2313 numMergedOcc 0
14 mol 142 unq 1 iso 0 dist 9.64785 12.444 7.81207 12.0967 5.81599 7.73169 numMergedOcc 0
15 mol 142 unq 2 iso 0 dist 9.64785 12.444 7.81207 17.0821 11.1 8.96657 numMergedOcc 0
16 mol 142 unq 3 iso 0 dist 9.64785 7.18287 6.14151 6.91573 4.67662 5.31024 numMergedOcc 0
17 mol 142 unq 4 iso 0 dist 9.64785 7.18287 6.14151 12.0967 5.81599 7.26382 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 9.11877 6.99924 5.37047 11.9411 4.78563 5.99315 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 9.77567 5.29694 6.59889 13.2594 5.39112 8.56324 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 9.77567 12.1481 6.70693 14.2479 4.94983 5.87555 numMergedOcc 0
21 mol 152 unq 2 iso 0 dist 9.77567 12.1481 6.70693 13.2594 5.39112 6.70283 numMergedOcc 0
22 mol 152 unq 3 iso 0 dist 9.77567 12.1481 6.70693 18.7855 9.67475 8.67331 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 9.24772 7.89844 9.76212 14.6912 12.9532 9.1374 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 9.24772 7.89844 9.76212 11.1528 6.50233 8.03334 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 5.09756 6.15341 6.61112 13.1651 11.0961 7.54065 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 7.79613 5.02064 5.56538 11.5635 6.84862 7.21333 numMergedOcc 0
27 mol 222 unq 1 iso 0 dist 9.06892 10.0163 6.74196 15.4985 8.84507 6.00706 numMergedOcc 0
28 mol 222 unq 2 iso 0 dist 9.06892 10.0163 6.74196 16.5102 12.8595 7.54212 numMergedOcc 0
29 mol 222 unq 3 iso 0 dist 8.54373 10.362 8.36842 12.568 6.02502 6.00706 numMergedOcc 0
30 mol 222 unq 4 iso 0 dist 8.54373 10.362 8.36842 16.9991 12.5866 7.54212 numMergedOcc 0
31 mol 224 unq 0 iso 0 dist 8.55819 5.30529 6.99769 11.1386 5.76843 6.65832 numMergedOcc 0
32 mol 224 unq 1 iso 0 dist 8.55819 10.5504 8.79428 13.6981 7.05804 6.57273 numMergedOcc 0
33 mol 224 unq 2 iso 0 dist 8.55819 10.5504 8.79428 11.1386 5.76843 6.60589 numMergedOcc 0
34 mol 224 unq 3 iso 0 dist 8.55819 12.7033 6.8692 13.6981 7.05804 5.78342 numMergedOcc 0
35 mol 224 unq 4 iso 0 dist 8.55819 12.7033 6.8692 11.1386 5.76843 9.16166 numMergedOcc 0
36 mol 224 unq 5 iso 0 dist 8.55819 12.7033 6.8692 13.026 4.54188 5.81334 numMergedOcc 0
37 mol 229 unq 0 iso 0 dist 9.69367 12.61 7.27993 15.3414 5.70473 8.22528 numMergedOcc 0
38 mol 229 unq 1 iso 0 dist 9.69367 12.61 7.27993 14.7537 7.22525 7.03423 numMergedOcc 0
39 mol 229 unq 2 iso 0 dist 9.69367 6.23286 6.95201 9.67544 4.61227 9.87838 numMergedOcc 0
40 mol 243 unq 0 iso 0 dist 7.42359 13.504 8.69318 10.1236 5.71505 8.23192 numMergedOcc 0
41 mol 243 unq 1 iso 0 dist 6.02146 11.8651 8.67156 15.5902 9.89868 8.23192 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 9.93282 5.69584 5.85442 11.283 10.067 7.46176 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 9.93282 15.3167 6.9899 16.7971 7.09907 5.30224 numMergedOcc 0
44 mol 259 unq 2 iso 0 dist 8.90555 6.00315 9.46361 13.2261 12.2293 8.13497 numMergedOcc 0
45 mol 259 unq 3 iso 0 dist 8.90555 6.00315 9.46361 11.283 11.6988 7.88519 numMergedOcc 0
46 mol 259 unq 4 iso 0 dist 8.90555 5.69584 6.95511 11.283 11.6988 7.46176 numMergedOcc 0
47 mol 259 unq 5 iso 0 dist 6.93417 9.13047 9.07743 12.0522 6.73882 8.53687 numMergedOcc 0
48 mol 259 unq 6 iso 0 dist 6.93417 9.13047 9.07743 11.1914 8.8603 8.13497 numMergedOcc 0
49 mol 259 unq 7 iso 0 dist 6.93417 5.07898 7.66153 11.1914 8.8603 7.88519 numMergedOcc 0
50 mol 259 unq 8 iso 0 dist 6.93417 5.07898 7.66153 8.70852 5.8801 7.84554 numMergedOcc 0
51 mol 259 unq 9 iso 0 dist 6.93417 5.07898 7.66153 9.89728 11.8896 7.46176 numMergedOcc 0
52 mol 259 unq 10 iso 0 dist 6.93417 5.07898 7.66153 6.42437 5.81576 9.18903 numMergedOcc 0
