0 mol 38 unq 0 iso 0 dist 8.19077 6.12182 7.50293 9.49676 5.79134 5.73067 13.1327 5.79773 9.91611 5.48241 numMergedOcc 0
1 mol 95 unq 0 iso 0 dist 9.17862 15.821 7.27724 10.4065 5.33325 9.65047 15.8862 8.41707 8.03644 5.69671 numMergedOcc 0
2 mol 95 unq 1 iso 0 dist 8.27456 9.7565 7.27724 13.1768 5.33325 9.65047 15.5421 8.41707 8.03644 5.69671 numMergedOcc 0
3 mol 95 unq 2 iso 0 dist 8.13273 14.1434 8.03644 13.1868 5.69671 9.65047 15.9036 8.41707 7.27724 5.33325 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.11612 6.86762 5.83991 8.21127 6.75472 5.02717 12.9567 10.8507 7.30858 5.28901 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 5.11612 6.86762 5.83991 8.21127 6.75472 5.02717 11.7895 8.02349 7.88312 11.0268 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 5.22628 6.8104 6.11741 7.99121 6.59772 4.98864 11.2519 7.69052 7.88312 10.9437 numMergedOcc 0
7 mol 115 unq 3 iso 0 dist 5.22628 6.8104 6.11741 6.30982 4.86477 7.95871 11.2519 7.69052 7.88312 12.0354 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 6.47346 6.90896 5.83384 13.1628 10.0961 6.38163 14.4108 9.05135 9.61051 8.61575 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.05674 4.32516 6.5107 9.86691 4.84607 9.3894 12.2159 9.56949 9.52634 13.0836 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 8.94909 6.80087 8.00618 5.7232 5.37072 5.82404 12.8006 11.965 6.29155 10.2385 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 8.94909 6.80087 8.00618 5.7232 5.37072 5.82404 9.73536 7.79672 6.80239 4.64588 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 18.2681 12.9554 9.84952 15.3001 8.85576 7.81386 4.3158 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 6.43406 10.9813 7.81386 5.08796 4.3158 9.84952 13.9818 8.85576 7.63312 12.9554 numMergedOcc 0
14 mol 181 unq 2 iso 0 dist 8.80581 10.209 7.63312 18.2493 12.9554 9.84952 14.9028 8.85576 7.81386 4.3158 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 6.44896 4.94984 5.59424 13.6095 8.43102 9.90531 9.74252 5.76246 7.00794 4.96445 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 6.04106 12.9245 7.26832 16.5797 10.7091 5.96555 13.1824 7.38516 6.03031 4.6995 numMergedOcc 0
17 mol 205 unq 1 iso 0 dist 6.04106 12.9245 7.26832 16.5797 10.7091 5.96555 19.8591 13.8543 7.80463 5.87892 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 9.61379 9.57016 8.95269 16.4561 9.98893 8.39002 11.7326 4.70378 6.57273 5.72088 numMergedOcc 0
19 mol 224 unq 1 iso 0 dist 9.61379 9.57016 8.95269 16.4561 9.98893 8.39002 14.3448 11.5372 5.78342 6.51315 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 7.17032 9.25445 9.45496 13.1219 12.0816 7.86368 12.069 7.82322 6.7625 6.94762 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 5.99137 13.3575 7.68742 14.592 11.247 9.89665 11.0371 7.28249 6.84306 4.38595 numMergedOcc 0
22 mol 236 unq 1 iso 0 dist 5.99137 5.03598 6.27581 4.43243 4.15973 5.66569 11.0371 7.28249 9.99038 11.2013 numMergedOcc 0
23 mol 236 unq 2 iso 0 dist 5.99137 5.03598 6.27581 5.92025 9.01197 6.11137 11.0371 7.28249 9.99038 15.1664 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 5.31858 6.60345 6.42289 8.62592 7.52881 5.73834 11.1218 7.26417 6.60405 6.48867 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 8.93002 6.64729 8.06771 6.20344 4.69778 7.88519 9.79538 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 8.93002 9.79538 8.06771 5.29682 4.69778 8.13497 6.64729 numMergedOcc 0
