0 mol 20 unq 0 iso 0 dist 7.84796 6.71051 6.4934 13.1682 8.77584 6.93199 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.84657 5.1402 6.93199 11.254 8.77584 6.4934 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 8.52969 12.9126 8.26899 11.7927 7.08557 9.33535 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 7.95122 10.7301 8.33704 9.74268 5.22626 7.92394 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 9.74268 10.7301 7.92394 7.95122 5.22626 8.33704 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.28737 12.2209 8.19682 15.3483 10.2879 6.21982 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 9.91446 7.39527 4.76815 14.7041 6.90824 9.39469 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 5.87387 6.2394 8.71128 6.06543 5.59517 7.52743 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 6.06543 6.2394 7.52743 5.87387 5.59517 8.71128 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 9.41387 6.69306 6.62561 13.8525 7.22206 7.63616 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.32004 4.91188 6.19042 13.1001 9.22558 8.43904 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 8.32004 7.01214 7.44174 13.6623 11.3169 7.39889 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 8.32004 7.01214 7.44174 15.0885 12.4603 9.63176 numMergedOcc 0
13 mol 127 unq 0 iso 0 dist 9.79448 11.8721 8.59981 17.0957 11.279 6.192 numMergedOcc 0
14 mol 127 unq 1 iso 0 dist 9.79448 11.8721 8.59981 15.5056 11.4958 7.69308 numMergedOcc 0
15 mol 127 unq 2 iso 0 dist 9.79448 11.8721 8.59981 14.1679 5.55757 7.66331 numMergedOcc 0
16 mol 127 unq 3 iso 0 dist 9.79448 11.5439 7.34519 14.1679 5.55757 8.58999 numMergedOcc 0
17 mol 127 unq 4 iso 0 dist 9.79448 11.5439 7.34519 15.1012 6.16471 6.63981 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 9.69757 12.4356 8.6243 12.5659 6.63273 6.91348 numMergedOcc 0
19 mol 132 unq 0 iso 0 dist 9.0339 9.29705 6.03703 8.48641 4.35917 7.61505 numMergedOcc 0
20 mol 132 unq 1 iso 0 dist 8.48641 9.29705 7.61505 9.0339 4.35917 6.03703 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 6.99089 15.1358 8.6355 15.1189 8.80819 8.79571 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 6.99089 15.1358 8.6355 11.6481 5.00817 5.42582 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 4.93035 6.70767 6.93652 10.4824 5.67306 9.54444 numMergedOcc 0
24 mol 155 unq 0 iso 0 dist 8.14907 7.79621 7.39644 14.8578 10.7616 7.36102 numMergedOcc 0
25 mol 155 unq 1 iso 0 dist 8.14907 6.3186 7.70572 12.8305 7.01918 8.65888 numMergedOcc 0
26 mol 156 unq 0 iso 0 dist 7.39961 5.58352 8.47155 7.80643 5.76755 9.36805 numMergedOcc 0
27 mol 156 unq 1 iso 0 dist 7.39961 5.58352 8.47155 10.8849 7.60354 7.55203 numMergedOcc 0
28 mol 156 unq 2 iso 0 dist 7.80643 5.58352 9.36805 7.39961 5.76755 8.47155 numMergedOcc 0
29 mol 156 unq 3 iso 0 dist 7.80643 5.58352 9.36805 10.8849 8.38403 7.55203 numMergedOcc 0
30 mol 213 unq 0 iso 0 dist 9.06306 6.32328 8.45368 15.1021 13.7995 9.59129 numMergedOcc 0
31 mol 213 unq 1 iso 0 dist 6.82185 12.9129 9.59129 19.3201 13.7995 8.45368 numMergedOcc 0
32 mol 218 unq 0 iso 0 dist 5.52981 6.48676 7.17547 6.22077 7.83217 7.13323 numMergedOcc 0
33 mol 218 unq 1 iso 0 dist 6.22077 6.48676 7.13323 5.52981 7.83217 7.17547 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 7.2527 14.0776 9.90142 10.3304 5.40359 5.9216 numMergedOcc 0
35 mol 238 unq 1 iso 0 dist 7.13194 14.751 9.29858 10.3304 10.1648 9.68513 numMergedOcc 0
36 mol 238 unq 2 iso 0 dist 9.29203 11.091 9.90142 7.62771 5.40359 5.9216 numMergedOcc 0
37 mol 238 unq 3 iso 0 dist 7.62771 12.4266 9.68513 7.80166 10.1648 9.29858 numMergedOcc 0
38 mol 238 unq 4 iso 0 dist 7.62771 11.091 5.9216 9.29203 5.40359 9.90142 numMergedOcc 0
39 mol 238 unq 5 iso 0 dist 7.80166 12.4266 9.29858 7.62771 10.1648 9.68513 numMergedOcc 0
40 mol 249 unq 0 iso 0 dist 6.93507 5.63238 8.96876 6.42827 8.34718 8.83735 numMergedOcc 0
41 mol 249 unq 1 iso 0 dist 6.42827 5.63238 8.83735 6.93507 8.34718 8.96876 numMergedOcc 0
42 mol 272 unq 0 iso 0 dist 7.22438 6.68919 6.73206 7.66615 5.40809 9.09992 numMergedOcc 0
43 mol 272 unq 1 iso 0 dist 7.66615 6.68919 9.09992 7.22438 5.40809 6.73206 numMergedOcc 0
44 mol 282 unq 0 iso 0 dist 7.90792 6.63358 7.32347 10.9708 5.39891 6.85028 numMergedOcc 0
45 mol 282 unq 1 iso 0 dist 7.90792 6.63358 7.32347 11.2496 10.5372 8.3411 numMergedOcc 0
46 mol 293 unq 0 iso 0 dist 8.90008 11.8919 8.56847 17.1836 10.9721 9.47908 numMergedOcc 0
