0 mol 11 unq 0 iso 0 dist 6.49709 10.4181 5.96346 5.59847 4.10106 6.859 7.4835 5.95165 4.46394 6.50001 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.40392 13.278 8.23446 11.0243 5.50396 4.44526 10.9024 9.54519 6.53276 6.36381 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 7.40392 5.12527 8.75662 11.0243 5.50396 9.586 10.9024 9.54519 6.81998 6.36381 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.94828 6.84017 6.16347 9.23015 5.63212 5.20109 4.93826 8.40051 4.32173 5.77745 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.90473 6.09666 7.36856 11.6641 7.73394 6.07276 15.8491 14.2765 10.5687 9.63803 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 9.81637 6.18332 5.93884 12.1036 4.23671 9.53438 9.37897 6.36193 4.37642 8.85156 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 9.83528 15.5475 6.65501 15.2524 10.4782 8.46823 20.2116 14.4342 9.96465 5.33961 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 9.83528 15.5475 6.65501 15.2524 10.4782 8.46823 22.6678 16.5524 13.7832 9.29816 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 9.83528 15.5475 6.65501 15.2524 10.4782 8.46823 13.457 12.3884 12.5752 5.08983 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 9.83528 15.5475 6.65501 11.8912 3.9764 4.62494 13.0144 5.9747 7.43001 8.3505 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 7.54969 13.2316 6.65501 12.301 10.4782 8.46823 17.5209 14.4342 9.96465 5.33961 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 7.54969 13.2316 6.65501 12.301 10.4782 8.46823 17.6742 16.5524 13.7832 9.29816 numMergedOcc 0
12 mol 98 unq 6 iso 0 dist 7.54969 13.2316 6.65501 12.301 10.4782 8.46823 11.425 12.3884 12.5752 5.08983 numMergedOcc 0
13 mol 98 unq 7 iso 0 dist 7.54969 13.2316 6.65501 8.79016 3.9764 4.62494 12.9828 5.9747 7.43001 8.3505 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 9.26438 5.26309 7.80523 6.62354 5.00433 7.56755 6.24804 11.1103 4.03135 9.46621 numMergedOcc 0
15 mol 109 unq 1 iso 0 dist 9.26438 5.26309 7.80523 6.62354 5.00433 7.56755 9.97562 8.3164 4.81814 9.94704 numMergedOcc 0
16 mol 109 unq 2 iso 0 dist 6.43255 11.4333 7.80523 8.00085 5.00433 7.56755 14.8896 11.1103 4.03135 9.46621 numMergedOcc 0
17 mol 109 unq 3 iso 0 dist 6.43255 11.4333 7.80523 8.00085 5.00433 7.56755 13.5611 8.3164 4.81814 9.94704 numMergedOcc 0
18 mol 109 unq 4 iso 0 dist 7.4389 14.0908 7.80523 11.8878 5.00433 7.56755 17.9067 11.1103 4.03135 9.46621 numMergedOcc 0
19 mol 109 unq 5 iso 0 dist 7.4389 14.0908 7.80523 11.8878 5.00433 7.56755 13.6781 8.3164 4.81814 9.94704 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.77347 10.0244 8.73217 16.8979 10.8286 9.99396 12.2086 9.44405 5.18732 6.26168 numMergedOcc 0
21 mol 188 unq 0 iso 0 dist 7.24099 6.5476 7.14503 13.0489 9.71636 8.66624 11.0576 11.4309 5.15888 7.6482 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 5.60236 5.86896 6.36341 11.1476 13.089 7.39085 6.15704 9.49136 4.32578 5.39924 numMergedOcc 0
23 mol 235 unq 1 iso 0 dist 9.03917 4.88651 6.36341 10.0929 13.089 7.39085 7.64186 9.49136 4.32578 5.39924 numMergedOcc 0
24 mol 235 unq 2 iso 0 dist 6.56775 4.88651 6.21292 10.0929 10.5354 7.39085 7.64186 10.127 4.32578 5.39924 numMergedOcc 0
