0 mol 1 unq 0 iso 0 dist 7.21349 7.81034 4.79345 4.93091 8.15672 9.21329 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 7.21349 9.19497 3.84685 4.93091 8.15672 8.54277 numMergedOcc 0
2 mol 2 unq 0 iso 0 dist 5.42021 6.47123 9.5866 6.93149 9.78005 10.1733 numMergedOcc 0
3 mol 2 unq 1 iso 0 dist 5.42021 6.47123 9.5866 4.00237 6.89072 8.3726 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 6.72531 9.04514 4.91237 3.44412 8.572 10.71 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 7.74131 5.55798 4.20398 7.37828 9.853 10.1667 numMergedOcc 0
6 mol 81 unq 0 iso 0 dist 5.96486 8.9672 4.57548 5.82911 9.53663 13.2827 numMergedOcc 0
7 mol 81 unq 1 iso 0 dist 5.96486 9.80754 8.00722 5.82911 9.53663 8.57764 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 7.10223 8.65008 3.82471 11.9194 6.12278 8.76245 numMergedOcc 0
9 mol 168 unq 0 iso 0 dist 9.76722 5.60956 4.65845 3.56227 8.97414 5.64732 numMergedOcc 0
10 mol 168 unq 1 iso 0 dist 9.76722 5.60956 4.65845 6.15982 8.00063 5.80055 numMergedOcc 0
11 mol 169 unq 0 iso 0 dist 8.44483 6.09291 11.8115 4.24401 7.78577 6.27378 numMergedOcc 0
12 mol 176 unq 0 iso 0 dist 7.4839 7.80506 12.3851 7.59772 8.13136 14.9656 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 8.86645 8.90161 10.4092 6.33098 8.17301 14.0626 numMergedOcc 0
14 mol 183 unq 0 iso 0 dist 8.15747 7.58913 8.4495 13.3248 7.16035 15.0191 numMergedOcc 0
15 mol 183 unq 1 iso 0 dist 8.15747 7.58913 8.4495 9.03854 6.2675 13.3057 numMergedOcc 0
16 mol 183 unq 2 iso 0 dist 8.15747 6.0782 3.94874 13.3248 7.16035 11.0149 numMergedOcc 0
17 mol 183 unq 3 iso 0 dist 8.15747 6.0782 3.94874 9.03854 6.2675 8.69656 numMergedOcc 0
18 mol 183 unq 4 iso 0 dist 8.74903 7.58913 5.86369 13.3248 9.61725 15.0191 numMergedOcc 0
19 mol 183 unq 5 iso 0 dist 8.74903 7.58913 5.86369 9.03854 9.52042 13.3057 numMergedOcc 0
20 mol 183 unq 6 iso 0 dist 8.74903 6.0782 4.44329 13.3248 9.61725 11.0149 numMergedOcc 0
21 mol 183 unq 7 iso 0 dist 8.74903 6.0782 4.44329 9.03854 9.52042 8.69656 numMergedOcc 0
22 mol 185 unq 0 iso 0 dist 9.56016 8.85182 4.63469 5.80135 8.07469 9.44685 numMergedOcc 0
23 mol 185 unq 1 iso 0 dist 9.56016 5.7065 13.6086 5.80135 8.07469 10.1603 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 5.29561 9.84479 11.4949 5.28999 9.4726 14.1374 numMergedOcc 0
25 mol 232 unq 1 iso 0 dist 5.29561 9.82645 11.8349 5.28999 9.4726 5.86945 numMergedOcc 0
26 mol 232 unq 2 iso 0 dist 9.16638 9.84479 14.347 5.28999 9.33969 14.1374 numMergedOcc 0
27 mol 232 unq 3 iso 0 dist 9.16638 9.84479 14.347 10.1458 7.64079 12.1537 numMergedOcc 0
28 mol 232 unq 4 iso 0 dist 9.16638 9.82645 9.07946 5.28999 9.33969 5.86945 numMergedOcc 0
29 mol 232 unq 5 iso 0 dist 9.16638 9.82645 9.07946 10.1458 7.64079 12.2024 numMergedOcc 0
30 mol 233 unq 0 iso 0 dist 7.74693 8.01777 13.8942 9.30391 9.69772 13.1105 numMergedOcc 0
31 mol 285 unq 0 iso 0 dist 8.12306 7.38536 8.7778 5.00843 6.73396 9.58965 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 9.39409 6.19545 12.2952 13.6065 9.40443 16.4308 numMergedOcc 0
33 mol 287 unq 1 iso 0 dist 9.39409 7.3388 8.37461 13.6065 9.40443 16.5524 numMergedOcc 0
34 mol 287 unq 2 iso 0 dist 9.39409 6.96248 4.03583 13.6065 9.40443 9.67507 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 9.39409 6.19545 12.2952 13.6065 9.40443 16.4308 numMergedOcc 0
36 mol 288 unq 1 iso 0 dist 9.39409 7.3388 8.37461 13.6065 9.40443 16.5524 numMergedOcc 0
37 mol 288 unq 2 iso 0 dist 9.39409 6.96248 4.03583 13.6065 9.40443 9.67507 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 9.39409 6.19545 12.2952 13.6065 9.40443 16.4308 numMergedOcc 0
39 mol 289 unq 1 iso 0 dist 9.39409 7.3388 8.37461 13.6065 9.40443 16.5524 numMergedOcc 0
40 mol 289 unq 2 iso 0 dist 9.39409 6.96248 4.03583 13.6065 9.40443 9.67507 numMergedOcc 0
