0 mol 25 unq 0 iso 0 dist 4.71964 6.44262 7.6114 9.07927 6.10919 7.31767 8.50987 5.86705 6.03987 4.51512 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 4.71964 6.44262 7.6114 8.50987 5.86705 6.03987 9.07927 6.10919 7.31767 4.51512 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 5.82829 5.44752 6.56212 10.9472 7.31539 7.17396 13.8756 11.1607 9.21998 6.05545 numMergedOcc 0
3 mol 59 unq 0 iso 1 dist 5.82829 5.44752 6.56212 13.8756 11.1607 9.21998 10.9472 7.31539 7.17396 6.05545 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 8.25027 4.28997 7.22643 11.7225 6.9945 8.22656 9.45717 4.19723 6.82262 5.61668 numMergedOcc 0
5 mol 133 unq 0 iso 1 dist 8.25027 4.28997 7.22643 9.45717 4.19723 6.82262 11.7225 6.9945 8.22656 5.61668 numMergedOcc 0
6 mol 142 unq 0 iso 0 dist 9.64785 12.444 7.81207 6.91573 4.67662 9.2313 12.0967 5.81599 7.73169 5.50998 numMergedOcc 0
7 mol 142 unq 0 iso 1 dist 9.64785 12.444 7.81207 12.0967 5.81599 7.73169 6.91573 4.67662 9.2313 5.50998 numMergedOcc 0
8 mol 142 unq 1 iso 0 dist 9.64785 12.444 7.81207 6.91573 4.67662 9.2313 17.0821 11.1 8.96657 11.1395 numMergedOcc 0
9 mol 142 unq 1 iso 1 dist 9.64785 12.444 7.81207 17.0821 11.1 8.96657 6.91573 4.67662 9.2313 11.1395 numMergedOcc 0
10 mol 142 unq 1 iso 0 dist 9.64785 12.444 7.81207 12.0967 5.81599 7.73169 17.0821 11.1 8.96657 5.92693 numMergedOcc 0
11 mol 142 unq 1 iso 1 dist 9.64785 12.444 7.81207 17.0821 11.1 8.96657 12.0967 5.81599 7.73169 5.92693 numMergedOcc 0
12 mol 142 unq 2 iso 0 dist 9.64785 7.18287 6.14151 6.91573 4.67662 5.31024 12.0967 5.81599 7.26382 5.50998 numMergedOcc 0
13 mol 142 unq 2 iso 1 dist 9.64785 7.18287 6.14151 12.0967 5.81599 7.26382 6.91573 4.67662 5.31024 5.50998 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 9.77567 12.1481 6.70693 14.2479 4.94983 5.87555 13.2594 5.39112 6.70283 5.42328 numMergedOcc 0
15 mol 152 unq 0 iso 1 dist 9.77567 12.1481 6.70693 13.2594 5.39112 6.70283 14.2479 4.94983 5.87555 5.42328 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 9.77567 12.1481 6.70693 14.2479 4.94983 5.87555 18.7855 9.67475 8.67331 5.54906 numMergedOcc 0
17 mol 152 unq 1 iso 1 dist 9.77567 12.1481 6.70693 18.7855 9.67475 8.67331 14.2479 4.94983 5.87555 5.54906 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 9.77567 12.1481 6.70693 13.2594 5.39112 6.70283 18.7855 9.67475 8.67331 6.4896 numMergedOcc 0
19 mol 152 unq 1 iso 1 dist 9.77567 12.1481 6.70693 18.7855 9.67475 8.67331 13.2594 5.39112 6.70283 6.4896 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 9.24772 7.89844 9.76212 14.6912 12.9532 9.1374 11.1528 6.50233 8.03334 13.2049 numMergedOcc 0
21 mol 181 unq 0 iso 1 dist 9.24772 7.89844 9.76212 11.1528 6.50233 8.03334 14.6912 12.9532 9.1374 13.2049 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 9.06892 10.0163 6.74196 15.4985 8.84507 6.00706 16.5102 12.8595 7.54212 6.8425 numMergedOcc 0
23 mol 222 unq 0 iso 1 dist 9.06892 10.0163 6.74196 16.5102 12.8595 7.54212 15.4985 8.84507 6.00706 6.8425 numMergedOcc 0
24 mol 222 unq 1 iso 0 dist 8.54373 10.362 8.36842 12.568 6.02502 6.00706 16.9991 12.5866 7.54212 6.8425 numMergedOcc 0
25 mol 222 unq 1 iso 1 dist 8.54373 10.362 8.36842 16.9991 12.5866 7.54212 12.568 6.02502 6.00706 6.8425 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 8.55819 10.5504 8.79428 13.6981 7.05804 6.57273 11.1386 5.76843 6.60589 5.0744 numMergedOcc 0
27 mol 224 unq 0 iso 1 dist 8.55819 10.5504 8.79428 11.1386 5.76843 6.60589 13.6981 7.05804 6.57273 5.0744 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 8.55819 12.7033 6.8692 13.6981 7.05804 5.78342 11.1386 5.76843 9.16166 5.0744 numMergedOcc 0
29 mol 224 unq 1 iso 1 dist 8.55819 12.7033 6.8692 11.1386 5.76843 9.16166 13.6981 7.05804 5.78342 5.0744 numMergedOcc 0
30 mol 224 unq 2 iso 0 dist 8.55819 12.7033 6.8692 13.6981 7.05804 5.78342 13.026 4.54188 5.81334 5.60236 numMergedOcc 0
31 mol 224 unq 2 iso 1 dist 8.55819 12.7033 6.8692 13.026 4.54188 5.81334 13.6981 7.05804 5.78342 5.60236 numMergedOcc 0
32 mol 224 unq 2 iso 0 dist 8.55819 12.7033 6.8692 11.1386 5.76843 9.16166 13.026 4.54188 5.81334 6.91102 numMergedOcc 0
33 mol 224 unq 2 iso 1 dist 8.55819 12.7033 6.8692 13.026 4.54188 5.81334 11.1386 5.76843 9.16166 6.91102 numMergedOcc 0
34 mol 229 unq 0 iso 0 dist 9.69367 12.61 7.27993 15.3414 5.70473 8.22528 14.7537 7.22525 7.03423 5.57838 numMergedOcc 0
35 mol 229 unq 0 iso 1 dist 9.69367 12.61 7.27993 14.7537 7.22525 7.03423 15.3414 5.70473 8.22528 5.57838 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 8.90555 6.00315 9.46361 13.2261 12.2293 8.13497 11.283 11.6988 7.88519 4.69778 numMergedOcc 0
37 mol 259 unq 0 iso 1 dist 8.90555 6.00315 9.46361 11.283 11.6988 7.88519 13.2261 12.2293 8.13497 4.69778 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 6.93417 9.13047 9.07743 12.0522 6.73882 8.53687 11.1914 8.8603 8.13497 10.582 numMergedOcc 0
39 mol 259 unq 1 iso 1 dist 6.93417 9.13047 9.07743 11.1914 8.8603 8.13497 12.0522 6.73882 8.53687 10.582 numMergedOcc 0
40 mol 259 unq 2 iso 0 dist 6.93417 5.07898 7.66153 11.1914 8.8603 7.88519 8.70852 5.8801 7.84554 4.86771 numMergedOcc 0
41 mol 259 unq 2 iso 1 dist 6.93417 5.07898 7.66153 8.70852 5.8801 7.84554 11.1914 8.8603 7.88519 4.86771 numMergedOcc 0
42 mol 259 unq 3 iso 0 dist 6.93417 5.07898 7.66153 11.1914 8.8603 7.88519 9.89728 11.8896 7.46176 6.96053 numMergedOcc 0
43 mol 259 unq 3 iso 1 dist 6.93417 5.07898 7.66153 9.89728 11.8896 7.46176 11.1914 8.8603 7.88519 6.96053 numMergedOcc 0
44 mol 259 unq 4 iso 0 dist 6.93417 5.07898 7.66153 11.1914 8.8603 7.88519 6.42437 5.81576 9.18903 10.4881 numMergedOcc 0
45 mol 259 unq 4 iso 1 dist 6.93417 5.07898 7.66153 6.42437 5.81576 9.18903 11.1914 8.8603 7.88519 10.4881 numMergedOcc 0
46 mol 259 unq 3 iso 0 dist 6.93417 5.07898 7.66153 8.70852 5.8801 7.84554 9.89728 11.8896 7.46176 7.64658 numMergedOcc 0
47 mol 259 unq 3 iso 1 dist 6.93417 5.07898 7.66153 9.89728 11.8896 7.46176 8.70852 5.8801 7.84554 7.64658 numMergedOcc 0
48 mol 259 unq 4 iso 0 dist 6.93417 5.07898 7.66153 8.70852 5.8801 7.84554 6.42437 5.81576 9.18903 5.87173 numMergedOcc 0
49 mol 259 unq 4 iso 1 dist 6.93417 5.07898 7.66153 6.42437 5.81576 9.18903 8.70852 5.8801 7.84554 5.87173 numMergedOcc 0
50 mol 259 unq 4 iso 0 dist 6.93417 5.07898 7.66153 9.89728 11.8896 7.46176 6.42437 5.81576 9.18903 10.5239 numMergedOcc 0
51 mol 259 unq 4 iso 1 dist 6.93417 5.07898 7.66153 6.42437 5.81576 9.18903 9.89728 11.8896 7.46176 10.5239 numMergedOcc 0
