0 mol 2 unq 0 iso 0 dist 6.52386 14.1164 9.74371 11.3269 9.57674 5.30739 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 5.77374 9.33944 8.0166 4.01354 5.27578 11.8191 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.57437 10.0257 9.67498 4.01354 8.94586 8.88491 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 8.57437 9.33944 9.32945 4.01354 8.94586 11.8191 numMergedOcc 0
4 mol 37 unq 0 iso 0 dist 8.98177 9.45747 9.25986 12.7745 7.65758 11.5334 numMergedOcc 0
5 mol 38 unq 0 iso 0 dist 9.94799 8.40505 5.86972 5.01416 9.18985 5.60016 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 7.85573 11.0282 8.23606 9.64095 7.42925 9.24792 numMergedOcc 0
7 mol 44 unq 1 iso 0 dist 6.21423 6.5318 8.23606 4.83412 7.42925 9.24792 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 9.67403 8.24748 8.30431 17.1697 9.32664 10.8154 numMergedOcc 0
9 mol 61 unq 1 iso 0 dist 7.28917 14.4616 8.30431 10.4547 9.32664 10.8154 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.31624 6.15377 6.328 6.68853 9.71873 9.55939 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 5.68726 5.41551 6.328 4.79924 9.71873 9.55939 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 7.46882 5.54987 6.328 9.80492 9.71873 9.55939 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 8.52125 5.60763 7.11187 12.9454 9.95103 12.8792 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 8.52125 13.5152 6.60356 12.9454 9.95103 10.0156 numMergedOcc 0
15 mol 108 unq 0 iso 0 dist 5.52402 4.2179 9.32474 5.97199 6.80069 9.54469 numMergedOcc 0
16 mol 108 unq 1 iso 0 dist 6.79804 10.5919 9.32474 6.62194 6.80069 9.54469 numMergedOcc 0
17 mol 128 unq 0 iso 0 dist 5.4772 6.22373 8.94995 6.09348 6.84818 7.37414 numMergedOcc 0
18 mol 128 unq 1 iso 0 dist 7.84607 7.99353 8.94995 5.5313 6.84818 7.37414 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 6.85651 8.75242 9.07294 14.4497 8.70392 12.7741 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 6.85651 14.0828 7.50126 14.4497 8.70392 6.52556 numMergedOcc 0
21 mol 133 unq 2 iso 0 dist 7.03858 6.45333 9.07294 9.26708 8.70392 12.7741 numMergedOcc 0
22 mol 133 unq 3 iso 0 dist 7.03858 11.5586 7.50126 9.26708 8.70392 6.52556 numMergedOcc 0
23 mol 147 unq 0 iso 0 dist 8.52428 7.75436 9.13646 6.78733 9.21191 5.19485 numMergedOcc 0
24 mol 162 unq 0 iso 0 dist 8.77869 15.3374 8.954 4.13881 9.25835 16.1423 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 4.96259 5.53632 8.78709 3.97538 5.67112 4.38798 numMergedOcc 0
26 mol 183 unq 0 iso 0 dist 9.92635 13.34 6.21267 8.96895 5.5781 6.19534 numMergedOcc 0
27 mol 183 unq 1 iso 0 dist 9.92635 13.9426 7.41743 8.96895 5.5781 5.59412 numMergedOcc 0
28 mol 183 unq 2 iso 0 dist 7.85507 9.98606 6.21267 6.57004 5.5781 6.19534 numMergedOcc 0
29 mol 183 unq 3 iso 0 dist 7.85507 11.9935 7.41743 6.57004 5.5781 5.59412 numMergedOcc 0
30 mol 192 unq 0 iso 0 dist 7.252 13.2525 7.30965 10.02 8.96522 11.0867 numMergedOcc 0
31 mol 192 unq 1 iso 0 dist 7.252 13.2525 7.30965 7.02086 7.04366 8.67274 numMergedOcc 0
32 mol 192 unq 2 iso 0 dist 7.252 13.2525 7.30965 11.153 9.99783 10.3343 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 8.56656 12.3775 9.68829 9.07051 9.28818 10.2119 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 8.56656 4.13623 7.75205 9.07051 9.28818 10.1438 numMergedOcc 0
35 mol 219 unq 0 iso 0 dist 9.52151 7.00921 4.67452 12.6614 9.30312 6.66401 numMergedOcc 0
36 mol 219 unq 1 iso 0 dist 9.52151 10.3376 9.86916 12.6614 9.30312 13.9364 numMergedOcc 0
37 mol 227 unq 0 iso 0 dist 6.14732 7.27568 5.2851 4.21811 8.61546 7.15779 numMergedOcc 0
38 mol 227 unq 1 iso 0 dist 6.14732 7.27568 5.2851 11.032 7.17024 6.10844 numMergedOcc 0
39 mol 230 unq 0 iso 0 dist 8.74076 5.06139 6.23346 4.28309 7.48445 7.30348 numMergedOcc 0
40 mol 249 unq 0 iso 0 dist 7.279 5.4063 4.46389 4.20164 4.68783 5.46606 numMergedOcc 0
41 mol 249 unq 1 iso 0 dist 8.43448 5.26413 4.46389 5.93404 4.68783 5.46606 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 5.98006 7.78289 8.73077 5.61261 9.69025 11.4974 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 5.98006 5.73217 6.76656 5.61261 9.69025 7.39099 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 7.52227 9.59994 8.81903 7.43437 7.88479 5.20184 numMergedOcc 0
45 mol 278 unq 0 iso 0 dist 6.83278 8.84423 8.87405 4.74121 8.20933 7.3159 numMergedOcc 0
46 mol 279 unq 0 iso 0 dist 4.75866 12.8228 9.98985 4.34346 6.12347 10.2995 numMergedOcc 0
47 mol 279 unq 1 iso 0 dist 4.75866 12.8228 9.98985 11.8793 8.79637 5.10287 numMergedOcc 0
48 mol 279 unq 2 iso 0 dist 7.87072 8.51381 9.98985 6.68035 6.12347 10.2995 numMergedOcc 0
49 mol 279 unq 3 iso 0 dist 7.87072 8.51381 9.98985 4.47851 8.79637 5.10287 numMergedOcc 0
