0 mol 34 unq 0 iso 0 dist 7.10899 11.042 6.85305 5.70643 7.78892 11.8192 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 8.99491 11.1165 9.10915 4.69203 8.75668 14.1348 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 8.99491 13.6507 8.66921 4.69203 8.75668 14.7285 numMergedOcc 0
3 mol 64 unq 2 iso 0 dist 8.99491 7.89444 5.54343 4.69203 8.75668 8.45243 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 8.65898 7.33586 6.99398 11.1041 9.2223 5.4212 numMergedOcc 0
5 mol 67 unq 1 iso 0 dist 8.65898 13.1954 8.64208 11.1041 9.2223 4.94708 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 8.04256 5.00567 6.87176 4.85985 7.89424 5.48662 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 8.04256 5.33771 5.57389 4.85985 7.89424 8.46933 numMergedOcc 0
8 mol 68 unq 2 iso 0 dist 7.51075 12.5342 6.87176 9.89879 7.89424 5.48662 numMergedOcc 0
9 mol 68 unq 3 iso 0 dist 7.51075 9.21957 5.57389 9.89879 7.89424 8.46933 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 9.65047 15.0981 9.40559 16.8321 9.64673 10.1023 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 7.15985 9.87475 5.81552 12.3624 9.90769 4.56801 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 9.60411 10.6313 5.67862 5.73962 6.48328 5.4503 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 6.23399 7.10961 9.04554 3.82471 6.36439 6.12711 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 4.44292 7.64573 8.66709 5.49557 8.57712 5.55092 numMergedOcc 0
15 mol 159 unq 0 iso 0 dist 4.91784 10.242 8.55431 5.09994 6.25034 11.1479 numMergedOcc 0
16 mol 163 unq 0 iso 0 dist 9.63873 13.739 6.56115 9.20952 8.32426 8.08989 numMergedOcc 0
17 mol 167 unq 0 iso 0 dist 5.59806 5.30254 7.83781 9.13316 9.23645 4.49322 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 6.07091 5.24208 6.01711 4.78402 7.73971 6.8538 numMergedOcc 0
19 mol 173 unq 0 iso 0 dist 8.1088 4.52935 8.70197 5.07225 9.80037 5.7308 numMergedOcc 0
20 mol 180 unq 0 iso 0 dist 7.1027 6.40302 7.08676 3.90063 7.71517 4.57551 numMergedOcc 0
21 mol 206 unq 0 iso 0 dist 9.36079 14.2215 8.73396 15.9979 8.11407 4.59913 numMergedOcc 0
22 mol 206 unq 1 iso 0 dist 7.42904 11.233 8.73396 13.397 8.11407 4.59913 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 9.51764 18.2005 9.40003 8.79059 9.92165 14.5553 numMergedOcc 0
24 mol 214 unq 1 iso 0 dist 9.51764 4.74203 8.68385 8.79059 9.92165 9.87974 numMergedOcc 0
25 mol 214 unq 2 iso 0 dist 5.36829 4.87713 9.40003 10.6379 9.92165 14.5553 numMergedOcc 0
26 mol 214 unq 3 iso 0 dist 5.36829 13.4762 8.68385 10.6379 9.92165 9.87974 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 9.94315 15.8036 7.98022 5.64173 4.80834 10.558 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 8.59074 12.1988 7.98022 4.11566 4.80834 10.558 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 6.2365 6.12122 7.98022 5.64162 4.80834 10.558 numMergedOcc 0
30 mol 261 unq 0 iso 0 dist 9.73983 11.7215 8.50313 5.96176 7.00833 7.35046 numMergedOcc 0
31 mol 261 unq 1 iso 0 dist 9.73983 13.4973 7.6414 5.96176 7.00833 7.98909 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 7.74162 6.05412 5.17586 6.30894 9.24472 7.77606 numMergedOcc 0
