0 mol 7 unq 0 iso 0 dist 7.38748 7.15287 6.8464 7.8893 9.15183 5.13353 6.22892 5.0893 8.41585 11.659 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.10957 4.81121 8.82819 7.95811 5.36937 5.53425 6.30573 6.03847 9.7022 9.58196 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 8.10957 4.81121 8.82819 6.24146 5.99703 5.67201 6.30573 6.03847 9.7022 9.04767 numMergedOcc 0
3 mol 14 unq 2 iso 0 dist 8.10957 7.95811 5.36937 4.81121 8.82819 5.53425 6.30573 6.03847 9.58196 9.7022 numMergedOcc 0
4 mol 14 unq 3 iso 0 dist 8.10957 7.95811 5.36937 6.24146 5.99703 4.53725 6.30573 6.03847 9.58196 9.04767 numMergedOcc 0
5 mol 14 unq 4 iso 0 dist 8.10957 6.24146 5.99703 4.81121 8.82819 5.67201 6.30573 6.03847 9.04767 9.7022 numMergedOcc 0
6 mol 14 unq 5 iso 0 dist 8.10957 6.24146 5.99703 7.95811 5.36937 4.53725 6.30573 6.03847 9.04767 9.58196 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.84944 14.9082 8.03754 7.95485 9.21978 11.3575 22.5146 14.0204 8.80331 19.5076 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.84944 14.9082 8.03754 7.95485 9.21978 11.3575 19.6842 13.1056 6.20293 16.882 numMergedOcc 0
9 mol 43 unq 2 iso 0 dist 7.21995 4.80528 8.03754 6.80633 9.21978 11.3575 12.8866 14.0204 8.80331 19.5076 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 7.21995 4.80528 8.03754 6.80633 9.21978 11.3575 10.6604 13.1056 6.20293 16.882 numMergedOcc 0
11 mol 64 unq 0 iso 0 dist 8.52643 15.4665 8.75668 9.48441 9.64871 10.6748 15.3102 7.26966 9.67592 14.5656 numMergedOcc 0
12 mol 64 unq 1 iso 0 dist 8.52643 15.4665 8.75668 4.76091 9.95118 14.7857 15.3102 7.26966 9.67592 16.1919 numMergedOcc 0
13 mol 64 unq 2 iso 0 dist 5.41357 9.95527 8.75668 6.41829 9.64871 10.6748 12.3873 7.26966 9.67592 14.5656 numMergedOcc 0
14 mol 64 unq 3 iso 0 dist 5.41357 9.95527 8.75668 6.13923 9.95118 14.7857 12.3873 7.26966 9.67592 16.1919 numMergedOcc 0
15 mol 78 unq 0 iso 0 dist 9.86325 9.54341 5.68286 6.02362 9.95767 6.39947 13.2707 5.73349 7.9245 13.2462 numMergedOcc 0
16 mol 101 unq 0 iso 0 dist 7.1859 4.51951 8.65215 5.82598 9.65097 6.69637 10.0014 9.17843 6.57035 10.3881 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 7.6453 4.80675 8.00624 7.01358 8.42289 10.5871 10.1938 15.4586 8.54584 17.1395 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 4.71683 5.52669 9.44496 7.77821 7.87233 12.8967 6.73134 7.41812 8.04248 11.2141 numMergedOcc 0
19 mol 236 unq 1 iso 0 dist 4.71683 7.77821 7.87233 5.52669 9.44496 12.8967 12.96 15.6279 9.81562 15.1853 numMergedOcc 0
20 mol 236 unq 2 iso 0 dist 4.71683 7.77821 7.87233 5.52669 9.44496 12.8967 10.8312 13.7246 7.68742 13.5269 numMergedOcc 0
21 mol 236 unq 3 iso 0 dist 4.71683 7.77821 7.87233 5.52669 9.44496 12.8967 11.2195 10.5269 6.27581 15.7308 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 6.33567 6.51074 7.69358 5.57797 7.57187 4.26007 10.3219 9.80642 6.97229 10.9661 numMergedOcc 0
23 mol 280 unq 0 iso 0 dist 4.45141 6.07005 5.41639 7.38048 7.96485 5.51836 10.6192 8.26589 6.53701 6.0664 numMergedOcc 0
24 mol 280 unq 1 iso 0 dist 4.45141 7.38048 7.96485 6.07005 5.41639 5.51836 10.6192 8.26589 6.0664 6.53701 numMergedOcc 0
