0 mol 24 unq 0 iso 0 dist 6.36381 6.81998 9.586 12.511 14.4081 9.44691 12.8473 13.5399 7.05541 6.72502 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.94703 4.04757 9.98592 6.11056 4.79736 8.44664 5.36722 11.2038 7.6844 6.72502 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 5.77745 4.32173 5.20109 8.40051 5.63212 6.16347 13.0772 12.3361 11.0508 6.90155 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 5.77745 4.32173 5.20109 8.6396 6.47509 7.45383 13.3963 12.8378 11.7817 6.6492 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.63803 10.5687 6.07276 14.2765 7.73394 7.36856 6.29311 6.73167 5.30297 8.6385 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.54368 9.64683 8.93769 13.8027 6.95017 7.52354 15.186 12.4442 5.8102 8.65802 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.33961 9.96465 8.46823 14.4342 10.4782 6.65501 16.369 12.2279 11.2092 7.26086 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 8.3505 7.43001 4.62494 5.9747 3.9764 6.65501 8.89866 8.75597 11.2092 7.26086 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 9.29816 13.7832 8.46823 16.5524 10.4782 6.65501 20.6947 12.2279 11.2092 7.26086 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 5.08983 12.5752 8.46823 12.3884 10.4782 6.65501 11.7159 12.2279 11.2092 7.26086 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 9.46621 4.03135 7.56755 11.1103 5.00433 7.80523 14.7769 9.78192 10.8469 5.34214 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 9.94704 4.81814 7.56755 8.3164 5.00433 7.80523 10.9842 9.78192 10.8469 5.34214 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 6.76574 4.47323 5.74846 10.2921 9.14311 5.93786 9.06963 10.6118 6.29877 7.71426 numMergedOcc 0
13 mol 171 unq 1 iso 0 dist 6.76574 4.47323 5.74846 11.2403 13.6262 8.24693 9.06963 10.6118 6.29877 5.10618 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 6.26168 5.18732 9.99396 11.5247 14.106 7.76163 7.41978 10.5765 6.71237 6.72641 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 6.26168 5.18732 9.99396 9.44405 10.8286 8.73217 11.5511 14.6369 11.8992 7.20574 numMergedOcc 0
16 mol 188 unq 0 iso 0 dist 7.6482 5.15888 8.66624 11.4309 9.71636 7.14503 6.40978 7.79115 5.0782 8.57261 numMergedOcc 0
17 mol 212 unq 0 iso 0 dist 5.03184 6.48939 9.10288 5.87223 3.9436 8.69988 6.8255 5.50658 12.8059 6.29767 numMergedOcc 0
18 mol 212 unq 1 iso 0 dist 5.03184 6.48939 9.10288 5.87223 3.9436 8.69988 8.90296 9.22129 4.21442 8.74585 numMergedOcc 0
19 mol 212 unq 2 iso 0 dist 5.03184 5.81626 6.19798 5.87223 3.9436 8.55903 6.8255 5.50658 10.7914 6.29767 numMergedOcc 0
20 mol 212 unq 3 iso 0 dist 5.03184 5.81626 6.19798 5.87223 3.9436 8.55903 8.90296 9.22129 6.69225 8.74585 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 5.39924 4.32578 7.39085 9.49136 13.089 6.36341 8.61048 11.0265 7.85398 6.39158 numMergedOcc 0
