0 mol 54 unq 0 iso 0 dist 9.62411 7.3581 8.80745 10.8507 5.29182 6.79881 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 9.62411 7.3581 8.80745 15.2463 8.16424 9.89535 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 7.31989 10.6622 8.80745 9.14555 5.29182 6.79881 numMergedOcc 0
3 mol 54 unq 3 iso 0 dist 7.31989 10.6622 8.80745 14.5034 8.16424 9.89535 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.42184 10.3721 7.75341 13.9321 8.57639 5.92936 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.42184 10.3721 7.75341 9.65498 4.93697 8.4438 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 7.58743 9.0655 8.0318 11.1999 8.12985 7.41952 numMergedOcc 0
7 mol 88 unq 0 iso 0 dist 9.44737 8.36516 6.89706 10.5126 3.42334 9.64551 numMergedOcc 0
8 mol 139 unq 0 iso 0 dist 7.02063 7.41954 9.07404 15.9456 12.9862 9.75151 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 7.55497 6.24447 8.3656 9.7788 8.01366 9.71692 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 7.62236 6.17821 8.44633 9.75445 8.04136 9.73708 numMergedOcc 0
11 mol 192 unq 0 iso 0 dist 8.8637 12.9121 7.578 19.9817 12.8803 7.30965 numMergedOcc 0
12 mol 206 unq 0 iso 0 dist 8.79378 4.58247 5.83021 11.626 4.61338 8.63033 numMergedOcc 0
13 mol 206 unq 1 iso 0 dist 8.79378 9.70849 9.18711 11.626 4.61338 8.02214 numMergedOcc 0
14 mol 219 unq 0 iso 0 dist 6.52136 6.90398 8.38773 7.26376 4.74338 4.67452 numMergedOcc 0
15 mol 219 unq 1 iso 0 dist 6.52136 6.90398 8.38773 15.7462 13.1198 9.86916 numMergedOcc 0
16 mol 223 unq 0 iso 0 dist 9.6936 5.59816 9.73123 7.29418 8.87398 6.03408 numMergedOcc 0
17 mol 223 unq 1 iso 0 dist 9.6936 5.59816 9.73123 12.511 14.288 7.80764 numMergedOcc 0
18 mol 223 unq 2 iso 0 dist 9.36733 4.04961 9.73123 8.63099 8.87398 6.03408 numMergedOcc 0
19 mol 223 unq 3 iso 0 dist 9.36733 4.04961 9.73123 11.8532 14.288 7.80764 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 6.96382 15.2081 8.28643 11.8266 5.36582 5.57184 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 7.63381 4.99161 6.64008 10.1511 3.28983 8.34832 numMergedOcc 0
22 mol 257 unq 0 iso 0 dist 8.70029 6.26147 5.81865 14.7064 12.6474 8.98346 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 7.59142 12.8668 8.9352 10.2213 4.91802 5.78017 numMergedOcc 0
24 mol 279 unq 1 iso 0 dist 7.59142 12.8668 8.9352 10.0666 9.35656 6.12742 numMergedOcc 0
25 mol 279 unq 2 iso 0 dist 7.59142 12.3885 5.8845 10.2213 4.91802 8.78203 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 8.4275 10.147 9.60873 12.1426 5.28913 7.88405 numMergedOcc 0
27 mol 283 unq 1 iso 0 dist 7.81241 12.3631 9.4181 12.3918 5.60193 7.53773 numMergedOcc 0
