0 mol 20 unq 0 iso 0 dist 7.51452 7.79943 6.19906 10.0815 5.86181 4.6621 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 7.51452 7.79943 6.19906 13.457 6.3253 11.5288 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 7.51452 7.79943 6.19906 11.3821 5.80568 9.3565 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 6.09764 12.0619 6.29711 8.96335 4.74809 4.6621 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 6.09764 12.0619 6.29711 6.05944 7.43882 11.5288 numMergedOcc 0
5 mol 20 unq 5 iso 0 dist 6.09764 12.0619 6.29711 7.46656 7.31198 9.3565 numMergedOcc 0
6 mol 20 unq 6 iso 0 dist 9.20198 12.0619 6.19906 8.96335 5.86181 4.6621 numMergedOcc 0
7 mol 20 unq 7 iso 0 dist 9.20198 12.0619 6.19906 6.05944 6.3253 11.5288 numMergedOcc 0
8 mol 20 unq 8 iso 0 dist 9.20198 12.0619 6.19906 7.46656 5.80568 9.3565 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 6.14538 7.41262 6.32568 4.24786 9.17082 8.89627 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 5.73743 6.76794 9.44289 10.1024 8.66165 11.0296 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.78706 11.6864 9.07676 11.3905 7.14031 15.0169 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 7.23884 4.85557 9.07676 14.2646 7.14031 15.0169 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 5.59328 11.7112 9.07676 4.67519 7.14031 15.0169 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 7.5242 6.63199 9.07676 10.4027 7.14031 15.0169 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 7.01812 8.77492 8.4705 10.6848 9.5057 11.7384 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 8.30845 12.2171 8.4705 15.3454 9.5057 11.7384 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 5.83771 6.70411 7.01507 4.60632 6.40575 5.51309 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 7.80532 10.7371 7.01507 5.71679 6.40575 5.51309 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 8.10291 15.1813 7.90709 14.7684 9.83945 8.90481 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 6.64834 9.36244 6.73995 6.45673 7.22518 12.8052 numMergedOcc 0
21 mol 171 unq 1 iso 0 dist 6.64834 9.36244 6.73995 4.78075 5.25109 9.23265 numMergedOcc 0
22 mol 171 unq 2 iso 0 dist 6.64834 10.4353 8.619 6.45673 7.22518 14.7924 numMergedOcc 0
23 mol 171 unq 3 iso 0 dist 6.64834 10.4353 8.619 4.78075 5.25109 7.86006 numMergedOcc 0
24 mol 171 unq 4 iso 0 dist 5.93786 8.62666 6.73995 5.48551 7.22518 12.8052 numMergedOcc 0
25 mol 171 unq 5 iso 0 dist 5.93786 8.62666 6.73995 7.9651 5.25109 9.23265 numMergedOcc 0
26 mol 171 unq 6 iso 0 dist 5.93786 12.3741 8.619 5.48551 7.22518 14.7924 numMergedOcc 0
27 mol 171 unq 7 iso 0 dist 5.93786 12.3741 8.619 7.9651 5.25109 7.86006 numMergedOcc 0
28 mol 171 unq 8 iso 0 dist 8.24693 11.8746 6.73995 8.05069 7.22518 12.8052 numMergedOcc 0
29 mol 171 unq 9 iso 0 dist 8.24693 11.8746 6.73995 12.6853 5.25109 9.23265 numMergedOcc 0
30 mol 171 unq 10 iso 0 dist 8.24693 16.3566 8.619 8.05069 7.22518 14.7924 numMergedOcc 0
31 mol 171 unq 11 iso 0 dist 8.24693 16.3566 8.619 12.6853 5.25109 7.86006 numMergedOcc 0
32 mol 171 unq 12 iso 0 dist 7.36698 5.97455 6.73995 11.2785 7.22518 12.8052 numMergedOcc 0
33 mol 171 unq 13 iso 0 dist 7.36698 5.97455 6.73995 5.90026 5.25109 9.23265 numMergedOcc 0
34 mol 171 unq 14 iso 0 dist 7.36698 5.92577 8.619 11.2785 7.22518 14.7924 numMergedOcc 0
35 mol 171 unq 15 iso 0 dist 7.36698 5.92577 8.619 5.90026 5.25109 7.86006 numMergedOcc 0
36 mol 192 unq 0 iso 0 dist 8.77999 10.375 9.8155 12.717 6.60053 7.52403 numMergedOcc 0
37 mol 192 unq 1 iso 0 dist 8.77999 10.375 9.8155 14.8459 9.36796 6.91699 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 9.05071 8.36582 6.02641 4.9377 9.8664 6.25229 numMergedOcc 0
39 mol 237 unq 0 iso 0 dist 9.16003 7.33449 7.3216 11.1554 8.10254 5.31202 numMergedOcc 0
40 mol 249 unq 0 iso 0 dist 5.48118 5.40456 6.72501 9.0676 5.9627 8.44835 numMergedOcc 0
41 mol 249 unq 1 iso 0 dist 7.25858 7.02235 6.72501 6.56117 5.9627 8.44835 numMergedOcc 0
42 mol 274 unq 0 iso 0 dist 8.52587 8.93097 9.71673 6.20558 6.88827 10.4158 numMergedOcc 0
43 mol 274 unq 1 iso 0 dist 8.52587 8.93097 9.71673 16.3619 9.16942 14.9486 numMergedOcc 0
44 mol 274 unq 2 iso 0 dist 6.39866 11.2327 9.71673 6.16703 6.88827 10.4158 numMergedOcc 0
45 mol 274 unq 3 iso 0 dist 6.39866 11.2327 9.71673 5.64601 9.16942 14.9486 numMergedOcc 0
46 mol 280 unq 0 iso 0 dist 9.76787 4.83983 5.85236 6.19336 6.73712 3.84243 numMergedOcc 0
