0 mol 58 unq 0 iso 0 dist 5.40287 5.52874 5.38524 6.82279 8.66539 5.79773 10.079 5.61579 6.81627 11.715 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 5.40287 5.52874 5.38524 9.02602 8.69057 5.47421 10.079 5.61579 6.81627 7.32874 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 5.40287 9.02602 8.69057 6.82279 8.66539 10.8779 10.079 5.61579 7.32874 11.715 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 5.40287 9.02602 8.69057 5.52874 5.38524 5.47421 10.079 5.61579 7.32874 6.81627 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 9.54537 4.31214 7.80898 14.437 7.51139 12.1547 12.6459 12.1193 9.36773 16.8013 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 5.15951 7.41993 7.86666 13.345 9.77497 17.2949 14.3528 13.0886 7.34473 21.5605 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 8.15473 10.0436 8.19331 6.81312 8.85711 7.21564 8.98848 3.55765 7.83136 7.0603 numMergedOcc 0
7 mol 117 unq 1 iso 0 dist 8.15473 6.81312 8.85711 10.0436 8.19331 7.21564 8.98848 3.55765 7.0603 7.83136 numMergedOcc 0
8 mol 142 unq 0 iso 0 dist 9.64785 12.444 7.81207 7.18287 6.14151 5.32922 6.91573 4.67662 9.2313 5.31024 numMergedOcc 0
9 mol 142 unq 1 iso 0 dist 9.64785 12.444 7.81207 7.18287 6.14151 5.32922 12.0967 5.81599 7.73169 7.26382 numMergedOcc 0
10 mol 142 unq 2 iso 0 dist 9.64785 12.444 7.81207 7.18287 6.14151 5.32922 17.0821 11.1 8.96657 11.0824 numMergedOcc 0
11 mol 142 unq 3 iso 0 dist 9.64785 7.18287 6.14151 12.444 7.81207 5.32922 6.91573 4.67662 5.31024 9.2313 numMergedOcc 0
12 mol 142 unq 4 iso 0 dist 9.64785 7.18287 6.14151 12.444 7.81207 5.32922 12.0967 5.81599 7.26382 7.73169 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 9.77567 5.29694 6.59889 12.1481 6.70693 7.65448 13.2594 5.39112 8.56324 6.70283 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 9.77567 12.1481 6.70693 5.29694 6.59889 7.65448 14.2479 4.94983 5.87555 10.399 numMergedOcc 0
15 mol 152 unq 2 iso 0 dist 9.77567 12.1481 6.70693 5.29694 6.59889 7.65448 13.2594 5.39112 6.70283 8.56324 numMergedOcc 0
16 mol 152 unq 3 iso 0 dist 9.77567 12.1481 6.70693 5.29694 6.59889 7.65448 18.7855 9.67475 8.67331 14.1618 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 9.24772 7.89844 9.76212 5.10258 8.59874 6.01247 14.6912 12.9532 9.1374 9.94371 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 9.24772 7.89844 9.76212 5.10258 8.59874 6.01247 11.1528 6.50233 8.03334 10.9639 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 5.09756 6.15341 6.61112 5.01462 8.90571 7.09479 13.1651 11.0961 7.54065 14.4482 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 8.55819 5.30529 6.99769 10.5504 8.79428 6.77699 11.1386 5.76843 6.65832 6.60589 numMergedOcc 0
21 mol 224 unq 1 iso 0 dist 8.55819 5.30529 6.99769 12.7033 6.8692 11.328 11.1386 5.76843 6.65832 9.16166 numMergedOcc 0
22 mol 224 unq 2 iso 0 dist 8.55819 10.5504 8.79428 5.30529 6.99769 6.77699 13.6981 7.05804 6.57273 10.103 numMergedOcc 0
23 mol 224 unq 3 iso 0 dist 8.55819 10.5504 8.79428 5.30529 6.99769 6.77699 11.1386 5.76843 6.60589 6.65832 numMergedOcc 0
24 mol 224 unq 4 iso 0 dist 8.55819 10.5504 8.79428 12.7033 6.8692 8.49799 13.6981 7.05804 6.57273 5.78342 numMergedOcc 0
25 mol 224 unq 5 iso 0 dist 8.55819 10.5504 8.79428 12.7033 6.8692 8.49799 11.1386 5.76843 6.60589 9.16166 numMergedOcc 0
26 mol 224 unq 6 iso 0 dist 8.55819 12.7033 6.8692 5.30529 6.99769 11.328 13.6981 7.05804 5.78342 10.103 numMergedOcc 0
27 mol 224 unq 7 iso 0 dist 8.55819 12.7033 6.8692 5.30529 6.99769 11.328 11.1386 5.76843 9.16166 6.65832 numMergedOcc 0
28 mol 224 unq 8 iso 0 dist 8.55819 12.7033 6.8692 5.30529 6.99769 11.328 13.026 4.54188 5.81334 10.9745 numMergedOcc 0
29 mol 224 unq 9 iso 0 dist 8.55819 12.7033 6.8692 10.5504 8.79428 8.49799 13.6981 7.05804 5.78342 6.57273 numMergedOcc 0
30 mol 224 unq 10 iso 0 dist 8.55819 12.7033 6.8692 10.5504 8.79428 8.49799 11.1386 5.76843 9.16166 6.60589 numMergedOcc 0
31 mol 224 unq 11 iso 0 dist 8.55819 12.7033 6.8692 10.5504 8.79428 8.49799 13.026 4.54188 5.81334 10.5128 numMergedOcc 0
32 mol 229 unq 0 iso 0 dist 9.69367 12.61 7.27993 12.7466 9.51168 5.1556 15.3414 5.70473 8.22528 11.3979 numMergedOcc 0
33 mol 229 unq 1 iso 0 dist 9.69367 12.61 7.27993 12.7466 9.51168 5.1556 14.7537 7.22525 7.03423 11.9282 numMergedOcc 0
34 mol 229 unq 2 iso 0 dist 9.69367 12.61 7.27993 6.23286 6.95201 7.0298 15.3414 5.70473 8.22528 11.7165 numMergedOcc 0
35 mol 229 unq 3 iso 0 dist 9.69367 12.61 7.27993 6.23286 6.95201 7.0298 14.7537 7.22525 7.03423 11.4362 numMergedOcc 0
36 mol 229 unq 4 iso 0 dist 9.69367 6.23286 6.95201 12.61 7.27993 7.0298 9.67544 4.61227 9.87838 11.6115 numMergedOcc 0
37 mol 229 unq 5 iso 0 dist 9.69367 6.23286 6.95201 12.7466 9.51168 6.54885 9.67544 4.61227 9.87838 13.9028 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 9.93282 5.69584 5.85442 15.3167 6.9899 9.98105 11.283 10.067 7.46176 12.0576 numMergedOcc 0
39 mol 259 unq 1 iso 0 dist 9.93282 15.3167 6.9899 5.69584 5.85442 9.98105 16.7971 7.09907 5.30224 11.858 numMergedOcc 0
40 mol 259 unq 2 iso 0 dist 8.90555 6.00315 9.46361 5.69584 6.95511 6.96053 13.2261 12.2293 8.13497 10.3935 numMergedOcc 0
41 mol 259 unq 3 iso 0 dist 8.90555 6.00315 9.46361 5.69584 6.95511 6.96053 11.283 11.6988 7.88519 7.46176 numMergedOcc 0
42 mol 259 unq 4 iso 0 dist 8.90555 5.69584 6.95511 6.00315 9.46361 6.96053 11.283 11.6988 7.46176 7.88519 numMergedOcc 0
43 mol 259 unq 5 iso 0 dist 6.93417 9.13047 9.07743 5.07898 7.66153 4.69778 12.0522 6.73882 8.53687 10.5767 numMergedOcc 0
44 mol 259 unq 6 iso 0 dist 6.93417 9.13047 9.07743 5.07898 7.66153 4.69778 11.1914 8.8603 8.13497 7.88519 numMergedOcc 0
45 mol 259 unq 7 iso 0 dist 6.93417 5.07898 7.66153 9.13047 9.07743 4.69778 11.1914 8.8603 7.88519 8.13497 numMergedOcc 0
46 mol 259 unq 8 iso 0 dist 6.93417 5.07898 7.66153 9.13047 9.07743 4.69778 8.70852 5.8801 7.84554 9.95973 numMergedOcc 0
47 mol 259 unq 9 iso 0 dist 6.93417 5.07898 7.66153 9.13047 9.07743 4.69778 9.89728 11.8896 7.46176 10.3935 numMergedOcc 0
48 mol 259 unq 10 iso 0 dist 6.93417 5.07898 7.66153 9.13047 9.07743 4.69778 6.42437 5.81576 9.18903 12.6839 numMergedOcc 0
