0 mol 41 unq 0 iso 0 dist 9.59131 8.45063 13.911 8.62288 17.7666 8.28673 3.84207 13.2808 7.7727 4.85755 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 6.72531 8.05728 9.66389 5.05927 11.1779 7.38928 11.3291 14.4979 7.99434 9.85208 numMergedOcc 0
2 mol 123 unq 0 iso 0 dist 8.71274 8.56386 5.8424 14.7054 13.0171 9.86842 10.941 10.5825 8.40918 4.42208 numMergedOcc 0
3 mol 127 unq 0 iso 0 dist 9.16999 5.52891 5.88232 3.94367 13.1077 8.98151 4.58529 12.2873 9.64136 4.24788 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 9.0455 7.13958 5.0466 4.99299 8.63018 7.07421 3.54691 7.84813 4.4077 6.14663 numMergedOcc 0
5 mol 129 unq 1 iso 0 dist 9.0455 7.13958 5.0466 4.99299 8.63018 7.07421 5.56761 12.1544 8.4874 5.32811 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.64946 9.96416 12.9286 8.58899 12.0133 9.07294 8.87194 14.6084 9.35049 3.75786 numMergedOcc 0
7 mol 254 unq 0 iso 0 dist 9.03136 5.17988 5.36654 5.24816 11.4378 9.36171 3.67192 9.93669 7.02613 7.04725 numMergedOcc 0
8 mol 254 unq 1 iso 0 dist 9.03136 5.17988 5.36654 5.24816 11.4378 9.36171 10.2653 13.3211 8.95185 13.2196 numMergedOcc 0
9 mol 254 unq 2 iso 0 dist 9.03136 5.17988 5.36654 4.6577 12.2936 7.87218 3.67192 9.93669 7.02613 3.99032 numMergedOcc 0
10 mol 254 unq 3 iso 0 dist 9.03136 5.17988 5.36654 4.6577 12.2936 7.87218 10.2653 13.3211 8.95185 11.5993 numMergedOcc 0
11 mol 254 unq 4 iso 0 dist 9.03136 8.76115 12.3025 5.24816 11.4378 7.53352 12.9566 19.5744 8.30975 9.97794 numMergedOcc 0
12 mol 254 unq 5 iso 0 dist 9.03136 8.76115 12.3025 5.24816 11.4378 7.53352 10.5182 18.1385 8.10036 9.08435 numMergedOcc 0
13 mol 254 unq 6 iso 0 dist 9.03136 8.76115 12.3025 5.24816 11.4378 7.53352 10.2653 13.3211 8.96529 13.2196 numMergedOcc 0
14 mol 254 unq 7 iso 0 dist 9.03136 8.76115 12.3025 9.11887 16.5936 7.80793 12.9566 19.5744 8.30975 4.69026 numMergedOcc 0
15 mol 254 unq 8 iso 0 dist 9.03136 8.76115 12.3025 9.11887 16.5936 7.80793 10.5182 18.1385 8.10036 4.10825 numMergedOcc 0
16 mol 254 unq 9 iso 0 dist 9.03136 8.76115 12.3025 9.11887 16.5936 7.80793 10.2653 13.3211 8.96529 13.4679 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 9.39409 6.76192 5.66584 4.157 12.4464 8.0935 11.7613 6.16127 9.31611 14.6969 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 9.39409 6.76192 5.66584 4.157 12.4464 8.0935 11.7613 6.16127 9.31611 14.6969 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 9.39409 6.76192 5.66584 4.157 12.4464 8.0935 11.7613 6.16127 9.31611 14.6969 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 8.89372 8.55037 8.19972 7.77878 13.9036 8.0661 3.83842 12.0796 9.49562 5.07231 numMergedOcc 0
