0 mol 78 unq 0 iso 0 dist 6.54185 9.4486 7.15254 8.48827 9.21018 4.35598 numMergedOcc 0
1 mol 78 unq 1 iso 0 dist 6.54185 9.4486 7.15254 7.14048 7.74516 5.50339 numMergedOcc 0
2 mol 78 unq 2 iso 0 dist 9.68502 9.4486 12.3113 8.48827 14.6646 4.35598 numMergedOcc 0
3 mol 78 unq 3 iso 0 dist 9.68502 9.4486 12.3113 7.14048 13.7979 5.50339 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.95651 5.62309 8.0763 7.29864 8.75014 3.79182 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 8.95651 5.62309 8.0763 7.7399 15.041 8.93569 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 8.95651 7.11438 12.2082 7.29864 8.75014 9.74373 numMergedOcc 0
7 mol 92 unq 3 iso 0 dist 8.95651 7.11438 12.2082 7.7399 15.041 3.98877 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.42713 7.4518 14.7862 5.10693 12.5638 4.34681 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 8.42713 7.4518 14.7862 6.58814 12.4215 5.73248 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 8.42713 7.4518 14.7862 6.13459 5.99863 13.5809 numMergedOcc 0
11 mol 93 unq 3 iso 0 dist 8.42713 7.4518 14.7862 7.54391 6.15015 14.149 numMergedOcc 0
12 mol 93 unq 4 iso 0 dist 8.42713 9.1687 9.42916 5.10693 12.5638 9.11796 numMergedOcc 0
13 mol 93 unq 5 iso 0 dist 8.42713 9.1687 9.42916 6.58814 12.4215 7.24672 numMergedOcc 0
14 mol 93 unq 6 iso 0 dist 8.42713 9.1687 9.42916 6.13459 5.99863 10.6039 numMergedOcc 0
15 mol 93 unq 7 iso 0 dist 8.42713 9.1687 9.42916 7.54391 6.15015 6.48338 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 6.20553 5.37302 7.76807 7.08403 6.39863 3.52111 numMergedOcc 0
17 mol 128 unq 0 iso 0 dist 6.4416 9.49761 8.06011 8.46801 4.21194 12.2606 numMergedOcc 0
18 mol 128 unq 1 iso 0 dist 6.4416 6.03154 5.19611 8.46801 4.21194 6.30769 numMergedOcc 0
19 mol 128 unq 2 iso 0 dist 7.49024 9.49761 6.42135 8.46801 9.46982 12.2606 numMergedOcc 0
20 mol 128 unq 3 iso 0 dist 7.49024 6.03154 4.68499 8.46801 9.46982 6.30769 numMergedOcc 0
21 mol 148 unq 0 iso 0 dist 5.06687 9.80819 7.89336 6.81449 3.94083 10.5863 numMergedOcc 0
22 mol 150 unq 0 iso 0 dist 5.09809 9.81665 7.86976 6.87593 3.99423 10.5688 numMergedOcc 0
23 mol 154 unq 0 iso 0 dist 9.2042 5.60184 13.1849 6.12278 14.9051 4.03185 numMergedOcc 0
24 mol 154 unq 1 iso 0 dist 9.2042 8.86862 10.7443 6.12278 14.9051 11.2909 numMergedOcc 0
25 mol 154 unq 2 iso 0 dist 9.2042 7.08477 11.4511 6.12278 14.9051 9.94519 numMergedOcc 0
26 mol 163 unq 0 iso 0 dist 5.80513 9.62943 8.55624 9.37245 12.99 9.10855 numMergedOcc 0
27 mol 169 unq 0 iso 0 dist 6.29631 5.51388 7.77054 7.33643 6.28641 3.83687 numMergedOcc 0
28 mol 171 unq 0 iso 0 dist 7.68295 6.80086 9.56885 7.06555 12.1034 3.72812 numMergedOcc 0
29 mol 194 unq 0 iso 0 dist 7.47107 8.03512 8.15427 8.76748 14.7863 9.87573 numMergedOcc 0
30 mol 210 unq 0 iso 0 dist 7.31388 9.26092 14.2595 9.49242 15.3751 3.71145 numMergedOcc 0
31 mol 210 unq 1 iso 0 dist 7.31388 9.26092 14.2595 9.25184 7.61953 11.0674 numMergedOcc 0
32 mol 237 unq 0 iso 0 dist 8.06435 8.42502 6.26206 9.33231 8.49326 3.68966 numMergedOcc 0
33 mol 247 unq 0 iso 0 dist 6.81743 6.18065 7.07817 4.78189 11.5516 8.67313 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 9.49787 6.09838 12.7455 8.61846 11.8893 8.33563 numMergedOcc 0
35 mol 268 unq 0 iso 0 dist 5.60058 8.6745 9.42862 6.18877 5.68496 3.75857 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 7.71972 9.11072 13.2001 9.82713 10.8539 8.87313 numMergedOcc 0
37 mol 274 unq 1 iso 0 dist 7.71972 6.83113 4.45396 9.82713 10.8539 6.97575 numMergedOcc 0
38 mol 274 unq 2 iso 0 dist 7.71972 9.44134 5.57372 9.82713 10.8539 9.92055 numMergedOcc 0
39 mol 274 unq 3 iso 0 dist 9.76049 9.11072 18.037 9.82713 17.0434 8.87313 numMergedOcc 0
40 mol 274 unq 4 iso 0 dist 9.76049 6.83113 10.4434 9.82713 17.0434 6.97575 numMergedOcc 0
41 mol 274 unq 5 iso 0 dist 9.76049 9.44134 12.4711 9.82713 17.0434 9.92055 numMergedOcc 0
