0 mol 1 unq 0 iso 0 dist 5.55208 6.5933 4.1868 9.40282 5.84337 9.7992 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 6.5933 5.55208 4.1868 9.40282 9.7992 5.84337 numMergedOcc 0
2 mol 1 unq 1 iso 0 dist 5.55208 6.5933 4.1868 9.35554 10.1549 11.2541 numMergedOcc 0
3 mol 1 unq 1 iso 1 dist 6.5933 5.55208 4.1868 9.35554 11.2541 10.1549 numMergedOcc 0
4 mol 1 unq 2 iso 0 dist 5.55208 7.46191 6.44207 9.40282 5.84337 12.0014 numMergedOcc 0
5 mol 1 unq 2 iso 1 dist 7.46191 5.55208 6.44207 9.40282 12.0014 5.84337 numMergedOcc 0
6 mol 1 unq 3 iso 0 dist 5.55208 7.46191 6.44207 9.35554 10.1549 7.79638 numMergedOcc 0
7 mol 1 unq 3 iso 1 dist 7.46191 5.55208 6.44207 9.35554 7.79638 10.1549 numMergedOcc 0
8 mol 1 unq 2 iso 0 dist 6.5933 7.46191 4.57416 9.40282 9.7992 12.0014 numMergedOcc 0
9 mol 1 unq 2 iso 1 dist 7.46191 6.5933 4.57416 9.40282 12.0014 9.7992 numMergedOcc 0
10 mol 1 unq 3 iso 0 dist 6.5933 7.46191 4.57416 9.35554 11.2541 7.79638 numMergedOcc 0
11 mol 1 unq 3 iso 1 dist 7.46191 6.5933 4.57416 9.35554 7.79638 11.2541 numMergedOcc 0
12 mol 55 unq 0 iso 0 dist 8.77251 7.74299 5.56372 7.62383 5.70356 4.83051 numMergedOcc 0
13 mol 55 unq 0 iso 1 dist 7.74299 8.77251 5.56372 7.62383 4.83051 5.70356 numMergedOcc 0
14 mol 55 unq 1 iso 0 dist 4.74307 6.36082 6.12266 6.81152 5.53748 4.53728 numMergedOcc 0
15 mol 55 unq 1 iso 1 dist 6.36082 4.74307 6.12266 6.81152 4.53728 5.53748 numMergedOcc 0
16 mol 90 unq 0 iso 0 dist 8.09741 8.43532 11.852 9.25901 6.60114 7.28798 numMergedOcc 0
17 mol 90 unq 0 iso 1 dist 8.43532 8.09741 11.852 9.25901 7.28798 6.60114 numMergedOcc 0
18 mol 90 unq 1 iso 0 dist 8.09741 8.43532 11.852 7.96299 7.39819 12.4809 numMergedOcc 0
19 mol 90 unq 1 iso 1 dist 8.43532 8.09741 11.852 7.96299 12.4809 7.39819 numMergedOcc 0
20 mol 96 unq 0 iso 0 dist 9.13068 7.93114 13.5769 6.21351 5.3958 9.89282 numMergedOcc 0
21 mol 96 unq 0 iso 1 dist 7.93114 9.13068 13.5769 6.21351 9.89282 5.3958 numMergedOcc 0
22 mol 167 unq 0 iso 0 dist 9.15244 8.08948 12.028 7.9895 10.4764 5.09673 numMergedOcc 0
23 mol 167 unq 0 iso 1 dist 8.08948 9.15244 12.028 7.9895 5.09673 10.4764 numMergedOcc 0
24 mol 167 unq 1 iso 0 dist 9.15244 8.08948 12.028 6.53913 7.79718 12.3929 numMergedOcc 0
25 mol 167 unq 1 iso 1 dist 8.08948 9.15244 12.028 6.53913 12.3929 7.79718 numMergedOcc 0
26 mol 206 unq 0 iso 0 dist 6.38821 5.98212 7.65364 9.90891 13.8408 11.5281 numMergedOcc 0
27 mol 206 unq 0 iso 1 dist 5.98212 6.38821 7.65364 9.90891 11.5281 13.8408 numMergedOcc 0
28 mol 206 unq 1 iso 0 dist 6.38821 7.16312 6.15698 9.90891 13.8408 15.4153 numMergedOcc 0
29 mol 206 unq 1 iso 1 dist 7.16312 6.38821 6.15698 9.90891 15.4153 13.8408 numMergedOcc 0
30 mol 206 unq 1 iso 0 dist 5.98212 7.16312 4.6952 9.90891 11.5281 15.4153 numMergedOcc 0
31 mol 206 unq 1 iso 1 dist 7.16312 5.98212 4.6952 9.90891 15.4153 11.5281 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 6.21062 7.26267 11.4162 8.14464 4.77967 12.1867 numMergedOcc 0
33 mol 225 unq 0 iso 1 dist 7.26267 6.21062 11.4162 8.14464 12.1867 4.77967 numMergedOcc 0
34 mol 225 unq 1 iso 0 dist 6.21062 7.26267 11.4162 9.93754 15.6895 5.92569 numMergedOcc 0
35 mol 225 unq 1 iso 1 dist 7.26267 6.21062 11.4162 9.93754 5.92569 15.6895 numMergedOcc 0
36 mol 233 unq 0 iso 0 dist 6.59321 9.80759 6.98913 6.48196 5.19558 6.48373 numMergedOcc 0
37 mol 233 unq 0 iso 1 dist 9.80759 6.59321 6.98913 6.48196 6.48373 5.19558 numMergedOcc 0
38 mol 256 unq 0 iso 0 dist 9.51909 7.00531 6.39231 9.51272 5.59478 10.1514 numMergedOcc 0
39 mol 256 unq 0 iso 1 dist 7.00531 9.51909 6.39231 9.51272 10.1514 5.59478 numMergedOcc 0
40 mol 285 unq 0 iso 0 dist 6.55498 7.38219 4.43444 9.82717 5.23192 9.00041 numMergedOcc 0
41 mol 285 unq 0 iso 1 dist 7.38219 6.55498 4.43444 9.82717 9.00041 5.23192 numMergedOcc 0
