0 mol 38 unq 0 iso 0 dist 8.19077 6.12182 7.50293 12.9122 7.63536 8.83233 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.47617 15.1595 8.80331 17.6746 9.86609 7.39848 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.66055 5.76106 6.81627 10.1664 7.93183 9.4278 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.04163 6.34076 5.93252 6.16745 3.85805 9.10566 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.88953 3.92763 5.93252 11.8357 3.85805 9.10566 numMergedOcc 0
5 mol 75 unq 0 iso 0 dist 8.64872 10.4239 7.79912 11.4295 4.74027 9.16597 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 9.32453 8.18176 6.97941 8.63792 3.69293 7.61521 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 9.88504 4.3433 7.2658 10.4566 4.70965 6.38004 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 8.13273 6.56354 9.03572 4.81841 4.73066 7.51733 numMergedOcc 0
9 mol 95 unq 2 iso 0 dist 8.13273 6.68919 8.83255 4.81841 4.73066 9.01607 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 8.29529 7.77295 5.86073 9.68191 13.0914 9.59585 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 8.29529 7.77295 5.86073 15.2931 12.5818 9.7073 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 8.20009 5.6257 6.44653 5.56598 5.61274 7.53694 numMergedOcc 0
13 mol 120 unq 1 iso 0 dist 8.20009 5.6257 6.44653 9.65403 3.35803 8.38358 numMergedOcc 0
14 mol 120 unq 2 iso 0 dist 8.14799 5.0256 6.44653 5.39792 5.61274 7.53694 numMergedOcc 0
15 mol 120 unq 3 iso 0 dist 8.14799 5.0256 6.44653 8.44206 3.35803 8.38358 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 7.00798 5.57978 8.54584 13.2 12.5321 7.97548 numMergedOcc 0
17 mol 129 unq 1 iso 0 dist 7.00798 5.57978 8.54584 13.6256 11.3755 9.64164 numMergedOcc 0
18 mol 129 unq 2 iso 0 dist 7.00798 6.05033 8.53613 13.2 12.5321 9.9291 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 6.29975 4.90674 6.5107 6.01995 6.12885 5.78814 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 9.0847 14.8573 8.56324 17.8809 9.73449 7.55934 numMergedOcc 0
21 mol 178 unq 0 iso 0 dist 5.41229 4.51874 6.69288 6.3472 4.69387 4.72821 numMergedOcc 0
22 mol 178 unq 1 iso 0 dist 8.57378 4.51874 6.43573 6.3472 3.70233 4.72821 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 17.0783 13.2274 8.29467 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 6.43406 10.9813 7.81386 7.24832 6.13927 8.29467 numMergedOcc 0
25 mol 181 unq 2 iso 0 dist 8.80581 10.209 7.63312 17.8855 13.2274 8.29467 numMergedOcc 0
26 mol 210 unq 0 iso 0 dist 7.86668 5.06314 6.18308 10.2968 4.29623 6.85824 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 6.92721 9.00069 6.16342 10.2617 4.32238 4.43499 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 9.5107 11.8955 7.69895 14.4749 6.19721 7.79063 numMergedOcc 0
29 mol 248 unq 1 iso 0 dist 9.5107 6.97887 7.21521 14.4749 6.19721 9.64778 numMergedOcc 0
30 mol 261 unq 0 iso 0 dist 9.45818 13.2478 8.45658 19.6031 11.4108 8.24356 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 9.64889 15.4648 9.7748 14.1815 7.75371 5.69112 numMergedOcc 0
32 mol 277 unq 1 iso 0 dist 9.64889 15.4648 9.7748 16.4637 11.3546 7.2091 numMergedOcc 0
33 mol 280 unq 0 iso 0 dist 9.0021 12.6862 6.53701 15.6716 6.87492 6.01897 numMergedOcc 0
