0 mol 15 unq 0 iso 0 dist 8.0637 9.63035 8.9488 7.57076 8.00576 10.4921 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 4.70023 6.48849 5.24207 9.04157 10.7484 11.5469 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.58806 7.03345 12.5434 8.69224 10.1446 13.502 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.58806 5.2296 9.57167 8.69224 10.1446 13.3758 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 6.53312 7.61643 8.84112 5.98169 10.6136 5.34746 numMergedOcc 0
5 mol 28 unq 1 iso 0 dist 5.9948 8.85208 8.84112 6.76158 11.7233 12.3025 numMergedOcc 0
6 mol 28 unq 2 iso 0 dist 5.9948 8.85208 8.84112 7.423 13.0183 14.5006 numMergedOcc 0
7 mol 28 unq 3 iso 0 dist 5.9948 8.85208 8.84112 5.89257 10.9699 14.231 numMergedOcc 0
8 mol 28 unq 4 iso 0 dist 5.9948 9.04974 4.31273 6.76158 11.7233 13.7096 numMergedOcc 0
9 mol 28 unq 5 iso 0 dist 5.9948 9.04974 4.31273 7.423 13.0183 14.8826 numMergedOcc 0
10 mol 28 unq 6 iso 0 dist 5.9948 9.04974 4.31273 5.89257 10.9699 12.4379 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 9.71591 9.05293 4.25306 9.94133 6.08409 8.46282 numMergedOcc 0
12 mol 88 unq 0 iso 0 dist 9.79535 9.05693 15.8666 9.57352 14.0189 3.87639 numMergedOcc 0
13 mol 88 unq 1 iso 0 dist 9.79535 7.45361 9.40927 9.57352 14.0189 9.76867 numMergedOcc 0
14 mol 88 unq 2 iso 0 dist 7.33521 9.05693 4.73269 9.57352 6.41397 3.87639 numMergedOcc 0
15 mol 88 unq 3 iso 0 dist 7.33521 7.45361 9.04108 9.57352 6.41397 9.76867 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 4.3761 7.40481 6.38409 5.61418 9.39313 8.734 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 5.84583 7.40481 12.4885 5.61418 6.66668 8.734 numMergedOcc 0
18 mol 103 unq 0 iso 0 dist 8.8763 7.4713 10.1927 7.91691 13.4361 3.95522 numMergedOcc 0
19 mol 103 unq 1 iso 0 dist 8.8763 8.91952 12.8681 7.91691 13.4361 12.8265 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 7.7195 7.38306 14.8177 6.80203 11.244 6.85043 numMergedOcc 0
21 mol 171 unq 1 iso 0 dist 9.43988 7.38306 4.63854 6.80203 5.58661 6.85043 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 9.60654 8.621 13.456 7.22151 3.90226 11.0751 numMergedOcc 0
23 mol 225 unq 1 iso 0 dist 7.11262 8.621 10.6299 7.22151 6.59432 11.0751 numMergedOcc 0
24 mol 243 unq 0 iso 0 dist 9.6748 9.87759 19.1894 8.35328 3.79865 16.8852 numMergedOcc 0
25 mol 243 unq 1 iso 0 dist 9.6748 6.0854 15.5949 8.35328 3.79865 13.8942 numMergedOcc 0
26 mol 243 unq 2 iso 0 dist 9.6748 7.86504 16.6342 8.35328 3.79865 14.2309 numMergedOcc 0
27 mol 243 unq 3 iso 0 dist 8.71177 9.87759 16.589 8.35328 8.58943 16.8852 numMergedOcc 0
28 mol 243 unq 4 iso 0 dist 8.71177 6.0854 13.8791 8.35328 8.58943 13.8942 numMergedOcc 0
29 mol 243 unq 5 iso 0 dist 8.71177 7.86504 12.5627 8.35328 8.58943 14.2309 numMergedOcc 0
30 mol 260 unq 0 iso 0 dist 4.76689 8.67835 9.87568 7.22473 3.48905 9.45061 numMergedOcc 0
31 mol 260 unq 1 iso 0 dist 4.76689 8.67835 9.87568 6.02628 3.43711 13.0341 numMergedOcc 0
32 mol 260 unq 2 iso 0 dist 7.26455 8.67835 9.94594 7.22473 7.46252 9.45061 numMergedOcc 0
33 mol 260 unq 3 iso 0 dist 7.26455 8.67835 9.94594 6.02628 7.63469 13.0341 numMergedOcc 0
34 mol 260 unq 4 iso 0 dist 8.79012 5.72892 12.3866 7.13397 3.48905 11.064 numMergedOcc 0
35 mol 260 unq 5 iso 0 dist 8.79012 5.72892 12.3866 5.33278 8.84611 4.03195 numMergedOcc 0
36 mol 272 unq 0 iso 0 dist 6.20857 8.38819 4.35986 7.08918 8.90381 8.31208 numMergedOcc 0
37 mol 292 unq 0 iso 0 dist 6.84909 8.23483 12.3921 7.61675 8.93255 4.955 numMergedOcc 0
38 mol 292 unq 1 iso 0 dist 6.38051 9.21126 5.53215 4.97488 5.55248 5.9419 numMergedOcc 0
