0 mol 43 unq 0 iso 0 dist 8.06275 8.60781 9.83618 5.33298 8.95682 4.54282 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.90024 12.664 9.83618 13.2914 8.95682 4.54282 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.81637 10.5083 9.64665 6.18332 5.93884 5.27642 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 9.43143 12.1059 6.77912 11.9655 9.27838 4.67641 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 9.26438 10.7144 5.87358 5.26309 7.80523 6.89298 numMergedOcc 0
5 mol 109 unq 1 iso 0 dist 6.43255 9.77909 5.87358 11.4333 7.80523 6.89298 numMergedOcc 0
6 mol 109 unq 2 iso 0 dist 7.4389 8.77144 5.87358 14.0908 7.80523 6.89298 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 6.71345 11.3386 8.71128 8.84017 6.84011 9.23527 numMergedOcc 0
8 mol 124 unq 0 iso 0 dist 6.71293 11.045 6.83051 5.76663 6.96281 6.89396 numMergedOcc 0
9 mol 124 unq 1 iso 0 dist 6.71293 11.7813 9.28376 5.76663 6.96281 7.66641 numMergedOcc 0
10 mol 126 unq 0 iso 0 dist 7.02525 7.79653 9.5574 7.05454 6.29233 6.36036 numMergedOcc 0
11 mol 126 unq 1 iso 0 dist 7.02525 7.79653 9.5574 4.95023 5.42406 4.28167 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 4.9155 13.386 8.6355 6.64576 7.80532 14.1488 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 8.49987 15.6111 8.6355 5.54455 7.80532 14.1488 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 9.42271 11.8215 8.6355 5.87436 7.80532 14.1488 numMergedOcc 0
15 mol 176 unq 0 iso 0 dist 8.78509 12.1262 8.61331 5.41751 7.33273 13.7844 numMergedOcc 0
16 mol 197 unq 0 iso 0 dist 7.70631 14.5382 8.99696 14.5203 7.50013 11.1666 numMergedOcc 0
17 mol 197 unq 1 iso 0 dist 7.70631 14.5382 8.99696 11.199 5.81233 13.3562 numMergedOcc 0
18 mol 197 unq 2 iso 0 dist 7.70631 14.5382 8.99696 12.0358 6.92924 4.59269 numMergedOcc 0
19 mol 197 unq 3 iso 0 dist 7.70631 14.5382 8.99696 7.10431 7.14306 12.9766 numMergedOcc 0
20 mol 197 unq 4 iso 0 dist 7.70631 12.215 7.85058 14.5203 7.50013 5.53129 numMergedOcc 0
21 mol 197 unq 5 iso 0 dist 7.70631 12.215 7.85058 11.199 5.81233 4.38296 numMergedOcc 0
22 mol 197 unq 6 iso 0 dist 7.70631 12.215 7.85058 12.0358 6.92924 11.3267 numMergedOcc 0
23 mol 197 unq 7 iso 0 dist 7.70631 12.215 7.85058 7.10431 7.14306 8.05362 numMergedOcc 0
24 mol 197 unq 8 iso 0 dist 7.70631 16.4731 9.96638 14.5203 7.50013 6.46195 numMergedOcc 0
25 mol 197 unq 9 iso 0 dist 7.70631 16.4731 9.96638 11.199 5.81233 11.0356 numMergedOcc 0
26 mol 197 unq 10 iso 0 dist 7.70631 16.4731 9.96638 12.0358 6.92924 6.31157 numMergedOcc 0
27 mol 197 unq 11 iso 0 dist 7.70631 16.4731 9.96638 7.10431 7.14306 11.5276 numMergedOcc 0
28 mol 209 unq 0 iso 0 dist 5.92907 10.2593 7.95911 9.57857 6.85935 5.50596 numMergedOcc 0
29 mol 235 unq 0 iso 0 dist 6.56775 4.25998 5.65339 4.88651 6.21292 7.96337 numMergedOcc 0
30 mol 235 unq 1 iso 0 dist 6.56775 4.25998 5.65339 6.99274 6.95126 4.29892 numMergedOcc 0
31 mol 235 unq 2 iso 0 dist 7.8128 7.62542 9.58736 12.5723 9.55668 13.128 numMergedOcc 0
32 mol 240 unq 0 iso 0 dist 7.6664 7.49446 6.15305 5.1741 6.68687 9.66581 numMergedOcc 0
33 mol 240 unq 1 iso 0 dist 7.6664 6.30896 8.0951 5.1741 6.68687 7.03039 numMergedOcc 0
34 mol 264 unq 0 iso 0 dist 7.37999 11.9746 9.0012 10.9458 7.16853 9.76317 numMergedOcc 0
35 mol 264 unq 1 iso 0 dist 7.37999 11.2015 9.5784 10.9458 7.16853 13.9064 numMergedOcc 0
36 mol 264 unq 2 iso 0 dist 7.36703 7.25333 9.0012 6.24807 7.16853 9.76317 numMergedOcc 0
37 mol 264 unq 3 iso 0 dist 7.36703 10.3867 9.5784 6.24807 7.16853 13.9064 numMergedOcc 0
38 mol 278 unq 0 iso 0 dist 9.91518 7.70648 6.35287 11.8916 8.00673 7.83538 numMergedOcc 0
39 mol 284 unq 0 iso 0 dist 6.83147 8.84794 8.41504 4.58432 7.8343 5.39591 numMergedOcc 0
40 mol 284 unq 1 iso 0 dist 7.43241 4.89439 4.86729 10.1686 6.78191 6.76453 numMergedOcc 0
