0 mol 8 unq 0 iso 0 dist 6.27477 8.76702 8.02605 7.55301 8.99126 14.849 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 8.52969 7.04193 11.6716 12.9126 8.26899 18.0433 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 8.52969 7.15486 10.6169 12.9126 8.26899 13.7148 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.97292 6.85083 9.49235 9.55542 6.71911 9.84864 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 7.95122 9.74268 5.22626 10.7301 8.33704 7.92394 numMergedOcc 0
5 mol 70 unq 1 iso 0 dist 9.74268 7.95122 5.22626 10.7301 7.92394 8.33704 numMergedOcc 0
6 mol 70 unq 2 iso 0 dist 9.74268 7.95122 5.22626 11.7565 9.93423 11.6205 numMergedOcc 0
7 mol 70 unq 3 iso 0 dist 9.74268 7.95122 5.22626 12.3296 9.34122 13.4942 numMergedOcc 0
8 mol 89 unq 0 iso 0 dist 8.25651 9.51842 10.4087 7.51049 8.75946 15.3836 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 9.91446 9.26343 13.8729 7.39527 4.76815 14.448 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 9.26343 9.91446 13.8729 11.6898 8.72704 14.4345 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 5.87387 6.06543 5.59517 6.2394 8.71128 7.52743 numMergedOcc 0
12 mol 114 unq 1 iso 0 dist 6.06543 5.87387 5.59517 6.2394 7.52743 8.71128 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 9.69757 9.64856 11.0599 12.4356 8.6243 16.8701 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 9.69757 6.38977 5.55373 12.4356 8.6243 12.5969 numMergedOcc 0
15 mol 132 unq 0 iso 0 dist 9.0339 8.48641 4.35917 9.29705 6.03703 7.61505 numMergedOcc 0
16 mol 132 unq 1 iso 0 dist 9.0339 6.23573 13.624 9.29705 6.03703 15.312 numMergedOcc 0
17 mol 132 unq 2 iso 0 dist 8.48641 9.0339 4.35917 9.29705 7.61505 6.03703 numMergedOcc 0
18 mol 132 unq 3 iso 0 dist 8.48641 6.23573 12.1165 9.29705 7.61505 15.312 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 4.93035 9.75558 6.21253 6.70767 6.93652 11.8898 numMergedOcc 0
20 mol 156 unq 0 iso 0 dist 7.39961 7.80643 5.76755 5.58352 8.47155 9.36805 numMergedOcc 0
21 mol 156 unq 1 iso 0 dist 7.80643 7.39961 5.76755 5.58352 9.36805 8.47155 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 8.50904 7.04318 6.2715 14.6248 9.31887 12.816 numMergedOcc 0
23 mol 175 unq 1 iso 0 dist 7.04318 8.50904 6.2715 6.61225 9.0664 10.689 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 6.96824 9.25528 11.9017 5.54495 6.93764 14.5723 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 9.25528 6.96824 11.9017 14.3955 6.94688 15.7174 numMergedOcc 0
26 mol 181 unq 2 iso 0 dist 9.25528 6.96824 11.9017 15.6271 6.71012 16.3976 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 7.92766 6.32652 12.5143 13.2566 5.90931 16.9866 numMergedOcc 0
28 mol 213 unq 0 iso 0 dist 9.06306 9.40939 11.2306 6.32328 8.45368 14.581 numMergedOcc 0
29 mol 213 unq 1 iso 0 dist 6.82185 6.82881 5.45334 10.693 6.0965 11.5105 numMergedOcc 0
30 mol 213 unq 2 iso 0 dist 6.82185 6.82881 5.45334 12.9129 9.59129 13.8919 numMergedOcc 0
31 mol 213 unq 3 iso 0 dist 6.77104 8.10356 11.3915 9.7466 6.68292 11.9811 numMergedOcc 0
32 mol 213 unq 4 iso 0 dist 6.77104 8.10356 11.3915 5.52154 4.26212 10.7798 numMergedOcc 0
33 mol 218 unq 0 iso 0 dist 5.52981 6.22077 7.83217 10.2333 7.18041 13.9223 numMergedOcc 0
34 mol 218 unq 1 iso 0 dist 5.52981 6.22077 7.83217 6.48676 7.17547 7.13323 numMergedOcc 0
35 mol 218 unq 2 iso 0 dist 6.22077 5.52981 7.83217 6.21463 9.50586 9.29802 numMergedOcc 0
36 mol 218 unq 3 iso 0 dist 6.22077 5.52981 7.83217 6.48676 7.13323 7.17547 numMergedOcc 0
37 mol 227 unq 0 iso 0 dist 6.18486 9.93154 9.51866 5.31715 8.83563 14.4583 numMergedOcc 0
38 mol 227 unq 1 iso 0 dist 6.18486 9.18218 4.48529 5.31715 8.83563 12.9801 numMergedOcc 0
39 mol 238 unq 0 iso 0 dist 9.82174 9.2521 14.0328 12.5765 6.91569 15.5389 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 9.82174 8.51359 15.8898 12.5765 6.91569 15.6485 numMergedOcc 0
41 mol 238 unq 2 iso 0 dist 7.2527 7.13194 10.0191 14.0776 9.90142 10.7386 numMergedOcc 0
42 mol 238 unq 3 iso 0 dist 7.13194 7.2527 10.0191 14.751 9.29858 12.5477 numMergedOcc 0
43 mol 238 unq 4 iso 0 dist 9.29203 7.62771 5.40359 11.091 9.90142 5.9216 numMergedOcc 0
44 mol 238 unq 5 iso 0 dist 9.29203 7.80166 10.0191 11.091 9.90142 10.7386 numMergedOcc 0
45 mol 238 unq 6 iso 0 dist 7.62771 9.29203 5.40359 12.4266 9.68513 12.5477 numMergedOcc 0
46 mol 238 unq 7 iso 0 dist 7.62771 9.29203 5.40359 11.091 5.9216 9.90142 numMergedOcc 0
47 mol 238 unq 8 iso 0 dist 7.62771 7.80166 10.1648 12.4266 9.68513 9.29858 numMergedOcc 0
48 mol 238 unq 9 iso 0 dist 7.62771 7.80166 10.1648 11.091 5.9216 10.7386 numMergedOcc 0
49 mol 238 unq 10 iso 0 dist 7.80166 9.29203 10.0191 12.4266 9.29858 12.5477 numMergedOcc 0
50 mol 238 unq 11 iso 0 dist 7.80166 7.62771 10.1648 12.4266 9.29858 9.68513 numMergedOcc 0
51 mol 249 unq 0 iso 0 dist 6.93507 6.42827 8.34718 5.63238 8.96876 8.83735 numMergedOcc 0
52 mol 249 unq 1 iso 0 dist 6.42827 6.93507 8.34718 5.63238 8.83735 8.96876 numMergedOcc 0
53 mol 272 unq 0 iso 0 dist 7.22438 7.66615 5.40809 6.68919 6.73206 9.09992 numMergedOcc 0
54 mol 272 unq 1 iso 0 dist 7.66615 7.22438 5.40809 6.68919 9.09992 6.73206 numMergedOcc 0
55 mol 272 unq 2 iso 0 dist 7.66615 7.22438 5.40809 8.13036 6.16449 10.1966 numMergedOcc 0
56 mol 282 unq 0 iso 0 dist 7.90792 7.70229 4.66602 6.63358 7.32347 10.4802 numMergedOcc 0
57 mol 284 unq 0 iso 0 dist 9.26573 9.27402 5.87439 13.5055 8.41504 10.0956 numMergedOcc 0
