0 mol 16 unq 0 iso 0 dist 8.17898 9.04834 10.2656 12.0005 7.03948 16.3417 5.37568 6.42835 7.65889 9.87867 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.17898 9.04834 10.2656 12.0005 7.03948 16.3417 9.62324 6.57331 13.1847 4.68733 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 9.10915 7.02352 9.21892 12.9814 8.68586 15.6843 6.24019 9.86334 12.1389 8.84224 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 6.87176 7.45675 10.2272 11.9261 7.96497 17.2527 8.41932 7.39665 12.2595 7.39155 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.30194 4.24428 5.7113 5.14919 4.65521 5.64598 10.7557 8.68662 11.6739 6.10063 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.30194 4.24428 5.7113 5.14919 4.65521 5.64598 11.1632 7.4369 10.9476 6.15714 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 8.62711 6.65963 7.30196 13.376 9.81878 11.7714 9.74982 6.08673 12.1234 12.2579 numMergedOcc 0
7 mol 132 unq 0 iso 0 dist 6.2403 8.34869 4.35917 6.58856 6.03703 7.61505 11.6543 6.89918 7.89457 6.545 numMergedOcc 0
8 mol 132 unq 1 iso 0 dist 8.34869 6.2403 4.35917 6.58856 7.61505 6.03703 11.6543 7.89457 6.89918 6.545 numMergedOcc 0
9 mol 132 unq 2 iso 0 dist 6.495 9.43748 4.35917 10.343 6.03703 7.61505 7.05332 6.89918 7.89457 6.545 numMergedOcc 0
10 mol 132 unq 3 iso 0 dist 9.43748 6.495 4.35917 10.343 7.61505 6.03703 7.05332 7.89457 6.89918 6.545 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 5.67862 7.97208 5.00817 6.30187 5.42582 8.6355 7.77359 9.33924 9.55584 6.0991 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 5.67862 7.97208 5.00817 6.30187 5.42582 8.6355 10.8891 7.93372 11.988 5.67107 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 7.7292 6.27396 12.5143 11.695 5.90931 16.9866 5.99091 7.9133 11.6352 11.2106 numMergedOcc 0
14 mol 219 unq 0 iso 0 dist 8.09769 7.24832 7.02195 7.42613 4.87541 10.105 4.74338 4.33238 7.83604 3.78261 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 6.36941 9.97357 7.28249 11.4732 5.34718 7.17676 5.3331 9.3206 10.1317 13.0765 numMergedOcc 0
16 mol 276 unq 0 iso 0 dist 5.30976 8.28881 8.56707 10.4141 8.76347 12.4317 3.87012 8.6759 11.298 13.5196 numMergedOcc 0
17 mol 284 unq 0 iso 0 dist 7.34344 8.08993 13.5089 5.83318 4.86729 11.1846 12.1528 5.83329 18.4692 7.67245 numMergedOcc 0
