0 mol 28 unq 0 iso 0 dist 6.53312 7.61643 8.84112 12.0744 13.8518 8.71168 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.9948 8.85208 8.84112 9.86606 13.8518 8.71168 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 9.78525 8.60575 4.68435 5.01912 6.30541 6.11574 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 4.85282 4.93315 5.02909 7.39957 10.4255 9.60892 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.76383 9.49371 14.4027 11.3498 19.6028 9.26231 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 9.71591 9.05293 4.25306 10.5363 12.8266 9.8089 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 9.79535 9.05693 15.8666 5.35193 15.1415 8.10769 numMergedOcc 0
7 mol 88 unq 1 iso 0 dist 7.33521 9.05693 4.73269 5.35193 5.4421 8.10769 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 4.3761 7.40481 6.38409 11.3093 12.2487 6.62952 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 4.3761 7.40481 6.38409 6.41542 8.04448 4.3521 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 5.84583 7.40481 12.4885 11.3093 14.5912 6.62952 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 5.84583 7.40481 12.4885 6.41542 10.6866 4.3521 numMergedOcc 0
12 mol 99 unq 0 iso 0 dist 5.64099 7.55765 4.95662 5.91888 7.09617 4.82346 numMergedOcc 0
13 mol 99 unq 1 iso 0 dist 5.64099 7.55765 4.95662 10.0064 11.6889 8.07233 numMergedOcc 0
14 mol 110 unq 0 iso 0 dist 7.25891 6.5332 4.37836 6.0128 6.34794 9.00302 numMergedOcc 0
15 mol 120 unq 0 iso 0 dist 9.63152 9.0655 4.88697 4.42019 11.4409 8.8894 numMergedOcc 0
16 mol 120 unq 1 iso 0 dist 9.05913 9.0655 8.87201 4.42019 11.2895 8.8894 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 7.56833 8.32304 11.4305 6.8279 12.7607 6.45169 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 7.7195 7.38306 14.8177 4.74273 11.1077 7.85183 numMergedOcc 0
19 mol 171 unq 1 iso 0 dist 9.43988 7.38306 4.63854 4.74273 11.2401 7.85183 numMergedOcc 0
20 mol 197 unq 0 iso 0 dist 8.05227 6.22734 10.3089 4.77702 12.7918 7.69352 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 9.60654 8.621 13.456 13.2093 17.9651 7.0412 numMergedOcc 0
22 mol 225 unq 1 iso 0 dist 7.11262 8.621 10.6299 13.2093 17.3102 7.0412 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 9.6748 6.0854 15.5949 5.52989 9.85847 8.1195 numMergedOcc 0
24 mol 243 unq 1 iso 0 dist 8.71177 6.0854 13.8791 5.52989 12.5064 8.1195 numMergedOcc 0
25 mol 243 unq 2 iso 0 dist 6.5095 6.77411 5.58254 6.0421 10.7559 7.2154 numMergedOcc 0
26 mol 243 unq 3 iso 0 dist 5.1766 6.77411 10.2776 6.0421 11.1564 7.2154 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 5.3435 9.64956 13.8539 11.4415 14.5143 9.65711 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 4.76689 8.67835 9.87568 6.0591 10.5291 8.13605 numMergedOcc 0
29 mol 260 unq 1 iso 0 dist 7.26455 8.67835 9.94594 6.0591 11.2048 8.13605 numMergedOcc 0
30 mol 272 unq 0 iso 0 dist 6.20857 8.38819 4.35986 8.75845 6.38555 5.34803 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 6.92426 5.37738 8.61682 10.6569 15.0107 6.40125 numMergedOcc 0
32 mol 277 unq 1 iso 0 dist 6.92426 5.37738 8.61682 4.09948 8.12461 7.25282 numMergedOcc 0
33 mol 277 unq 2 iso 0 dist 5.83023 5.37738 4.80425 10.6569 10.5382 6.40125 numMergedOcc 0
34 mol 277 unq 3 iso 0 dist 5.83023 5.37738 4.80425 4.09948 9.027 7.25282 numMergedOcc 0
