0 mol 26 unq 0 iso 0 dist 8.98417 10.7786 5.497 6.93801 5.45023 8.42581 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 9.18836 6.26099 6.73801 7.89705 6.32189 5.52067 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 6.07294 6.26099 6.42834 7.89705 4.85777 5.52067 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 4.5673 11.1279 9.62637 14.1854 10.493 7.95778 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 7.31426 9.81259 7.1539 6.97288 7.75408 9.28578 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 6.15654 7.31722 5.39745 15.5787 12.1199 9.28578 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 9.63728 6.13136 9.10794 13.0494 7.97939 9.41723 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 4.86767 10.8755 9.83981 15.052 11.4429 8.11094 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.12854 6.34223 5.60389 13.5771 9.18958 9.9928 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 7.61237 10.8984 6.98158 6.4028 4.68499 9.89462 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.36723 5.73251 6.71555 9.91403 5.83691 8.07135 numMergedOcc 0
11 mol 146 unq 0 iso 0 dist 8.68292 7.14836 6.50043 13.5611 7.20408 8.68349 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 6.86997 6.43817 8.73468 11.1382 7.23332 8.12589 numMergedOcc 0
13 mol 148 unq 1 iso 0 dist 7.46919 6.43817 9.73927 11.1382 7.89336 8.12589 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 6.79381 6.48058 8.73558 11.1473 7.35366 8.11592 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 7.36989 6.48058 9.66129 11.1473 7.86976 8.11592 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 7.23059 10.405 9.6096 11.3091 10.3886 6.39981 numMergedOcc 0
17 mol 173 unq 0 iso 0 dist 9.31172 8.94838 6.64779 13.2419 9.43677 7.54706 numMergedOcc 0
18 mol 188 unq 0 iso 0 dist 6.20426 9.12244 9.33696 10.2746 5.87427 7.48284 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 8.09776 8.91682 9.3402 8.63008 7.50057 9.77862 numMergedOcc 0
20 mol 194 unq 1 iso 0 dist 6.57575 11.7133 9.3402 12.3731 7.50057 9.77862 numMergedOcc 0
21 mol 194 unq 2 iso 0 dist 9.30761 4.90091 9.3402 12.8922 7.50057 9.77862 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 9.85821 10.9858 5.88802 12.02 4.04521 8.8827 numMergedOcc 0
23 mol 278 unq 0 iso 0 dist 8.30195 7.96744 7.48235 17.2539 14.8957 9.80746 numMergedOcc 0
