0 mol 41 unq 0 iso 0 dist 9.59131 8.45063 13.911 8.62288 17.7666 8.28673 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 6.72531 8.05728 9.66389 5.05927 11.1779 7.38928 numMergedOcc 0
2 mol 51 unq 0 iso 0 dist 9.66898 8.55004 4.9987 11.5172 13.9599 9.4097 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 9.57953 8.1375 4.36597 5.42278 6.67575 7.57822 numMergedOcc 0
4 mol 123 unq 0 iso 0 dist 8.71274 8.56386 5.8424 14.7054 13.0171 9.86842 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 9.16999 5.52891 5.88232 3.94367 13.1077 8.98151 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 9.0455 7.13958 5.0466 4.99299 8.63018 7.07421 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 8.80041 9.92685 5.11455 6.40926 10.2168 7.9663 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.64946 9.96416 12.9286 8.58899 12.0133 9.07294 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 8.64946 7.17051 5.57746 5.80658 5.68599 5.12189 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 8.64946 7.17051 5.57746 8.58899 12.0133 7.50126 numMergedOcc 0
11 mol 163 unq 0 iso 0 dist 7.5447 8.66172 8.52732 10.2273 14.7912 9.85967 numMergedOcc 0
12 mol 163 unq 1 iso 0 dist 9.04757 8.66172 5.84005 10.2273 11.6665 9.85967 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 8.59783 6.20851 5.24208 14.0871 10.111 9.47945 numMergedOcc 0
14 mol 226 unq 0 iso 0 dist 9.37229 7.54614 6.92911 9.97507 8.10096 7.20862 numMergedOcc 0
15 mol 249 unq 0 iso 0 dist 6.40339 5.96492 5.4063 5.34664 7.279 4.46389 numMergedOcc 0
16 mol 254 unq 0 iso 0 dist 9.03136 5.17988 5.36654 5.24816 11.4378 9.36171 numMergedOcc 0
17 mol 254 unq 1 iso 0 dist 9.03136 5.17988 5.36654 4.6577 12.2936 7.87218 numMergedOcc 0
18 mol 254 unq 2 iso 0 dist 9.03136 8.76115 12.3025 5.24816 11.4378 7.53352 numMergedOcc 0
19 mol 254 unq 3 iso 0 dist 9.03136 8.76115 12.3025 9.11887 16.5936 7.80793 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 8.37512 9.52903 11.3847 13.2258 16.651 6.08181 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 8.37512 9.52903 11.3847 3.95075 10.6148 7.70189 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 7.34794 8.06908 6.92619 7.10624 7.97113 8.91916 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 7.34794 8.06908 6.92619 5.09929 5.22111 4.55368 numMergedOcc 0
24 mol 265 unq 0 iso 0 dist 9.71346 9.81689 6.58111 12.7023 15.1921 9.50814 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 5.43053 7.66705 5.01049 4.90213 3.90274 5.28417 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 5.43053 7.51446 10.3939 8.18304 11.8868 8.12204 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 9.39409 6.76192 5.66584 4.157 12.4464 8.0935 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 9.39409 6.76192 5.66584 4.157 12.4464 8.0935 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 9.39409 6.76192 5.66584 4.157 12.4464 8.0935 numMergedOcc 0
30 mol 294 unq 0 iso 0 dist 8.89372 8.55037 8.19972 7.77878 13.9036 8.0661 numMergedOcc 0
