0 mol 0 unq 0 iso 0 dist 7.48645 6.0597 6.64713 10.3413 8.39054 9.38507 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.62284 13.719 9.36461 21.4713 15.6099 7.85986 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.62284 13.719 9.36461 16.9823 12.5557 4.30252 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 6.93364 6.45654 6.15801 9.25424 4.06864 8.0991 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 6.93364 6.45654 6.15801 7.69101 5.9339 9.95093 numMergedOcc 0
5 mol 34 unq 2 iso 0 dist 6.93364 11.9626 9.63403 9.25424 4.06864 8.80175 numMergedOcc 0
6 mol 34 unq 3 iso 0 dist 6.34821 7.35043 6.15801 10.1225 4.06864 8.0991 numMergedOcc 0
7 mol 34 unq 4 iso 0 dist 6.34821 7.35043 6.15801 9.57665 5.9339 9.95093 numMergedOcc 0
8 mol 34 unq 5 iso 0 dist 6.34821 13.4874 9.63403 10.1225 4.06864 8.80175 numMergedOcc 0
9 mol 44 unq 0 iso 0 dist 9.17518 9.05795 7.03307 14.8466 10.0772 6.53981 numMergedOcc 0
10 mol 44 unq 1 iso 0 dist 9.17518 6.37181 7.25707 14.8466 10.0772 9.14809 numMergedOcc 0
11 mol 44 unq 2 iso 0 dist 8.21833 11.814 7.03307 15.4918 10.0772 6.53981 numMergedOcc 0
12 mol 44 unq 3 iso 0 dist 8.21833 7.77924 7.25707 15.4918 10.0772 9.14809 numMergedOcc 0
13 mol 56 unq 0 iso 0 dist 5.86571 6.56778 6.99108 5.42296 3.91174 9.09425 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 7.54496 4.48233 7.31784 6.18681 4.67883 8.61893 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 9.20197 10.7055 8.57827 13.9294 5.19513 9.22418 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 9.39683 10.8622 5.44303 16.4794 9.93041 8.47526 numMergedOcc 0
17 mol 151 unq 0 iso 0 dist 5.63814 8.3622 4.74531 12.3421 10.247 8.1948 numMergedOcc 0
18 mol 154 unq 0 iso 0 dist 9.47362 12.7281 6.51014 13.5213 4.83835 8.90588 numMergedOcc 0
19 mol 154 unq 1 iso 0 dist 6.28417 4.70993 6.51014 5.97134 4.83835 8.90588 numMergedOcc 0
20 mol 158 unq 0 iso 0 dist 7.35329 6.93752 5.8628 10.8611 6.02991 4.6512 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 7.94153 4.35079 4.5271 11.5528 6.50208 7.37629 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 7.94153 4.35079 4.5271 9.8337 6.3786 5.68985 numMergedOcc 0
23 mol 186 unq 2 iso 0 dist 7.94153 5.34643 7.02575 12.9302 8.54557 8.2241 numMergedOcc 0
24 mol 193 unq 0 iso 0 dist 8.76185 5.97706 8.43187 6.17074 5.43768 6.21262 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 9.83885 11.8917 5.95375 15.7074 7.1653 6.81516 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 9.83885 11.8917 5.95375 14.9615 6.72925 9.17562 numMergedOcc 0
27 mol 205 unq 2 iso 0 dist 5.42696 11.8917 9.17946 15.7074 11.5523 6.81516 numMergedOcc 0
28 mol 205 unq 3 iso 0 dist 5.42696 11.8917 9.17946 14.9615 10.2944 9.17562 numMergedOcc 0
29 mol 237 unq 0 iso 0 dist 7.33613 9.55218 5.06628 11.1579 5.20161 8.95332 numMergedOcc 0
30 mol 250 unq 0 iso 0 dist 9.03319 4.45194 5.93798 10.8596 11.0798 9.25035 numMergedOcc 0
31 mol 278 unq 0 iso 0 dist 9.80746 11.3687 7.21972 9.94661 8.48896 8.1769 numMergedOcc 0
32 mol 278 unq 1 iso 0 dist 9.80746 11.3687 7.21972 10.6403 4.35961 7.1656 numMergedOcc 0
33 mol 278 unq 2 iso 0 dist 9.48589 7.83538 7.21972 13.7721 8.48896 8.1769 numMergedOcc 0
34 mol 278 unq 3 iso 0 dist 9.48589 7.83538 7.21972 12.27 4.35961 7.1656 numMergedOcc 0
35 mol 282 unq 0 iso 0 dist 9.96468 9.09482 8.67489 16.4557 10.6248 8.46115 numMergedOcc 0
36 mol 282 unq 1 iso 0 dist 9.59817 6.21176 8.67489 12.6077 10.6248 8.46115 numMergedOcc 0
37 mol 285 unq 0 iso 0 dist 5.80415 4.39689 6.74142 6.01404 8.03918 8.79261 numMergedOcc 0
38 mol 285 unq 1 iso 0 dist 5.80415 4.39689 6.74142 9.14377 11.1127 9.99125 numMergedOcc 0
