0 mol 93 unq 0 iso 0 dist 8.16531 6.38065 7.8435 10.8116 15.8624 9.19977 numMergedOcc 0
1 mol 93 unq 1 iso 0 dist 8.16531 6.38065 7.8435 11.35 14.7862 7.28831 numMergedOcc 0
2 mol 93 unq 2 iso 0 dist 8.16531 6.38065 7.8435 8.77074 9.42916 9.71411 numMergedOcc 0
3 mol 93 unq 3 iso 0 dist 8.98593 16.5618 7.8435 23.1985 15.8624 9.19977 numMergedOcc 0
4 mol 93 unq 4 iso 0 dist 8.98593 16.5618 7.8435 22.9602 14.7862 7.28831 numMergedOcc 0
5 mol 93 unq 5 iso 0 dist 8.98593 16.5618 7.8435 13.2297 9.42916 9.71411 numMergedOcc 0
6 mol 105 unq 0 iso 0 dist 8.5972 6.79366 7.44838 6.09256 4.22355 7.77089 numMergedOcc 0
7 mol 105 unq 1 iso 0 dist 7.29506 4.59356 7.44838 8.40598 4.22355 7.77089 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 8.02258 3.60945 6.77921 5.66405 5.38571 6.65731 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 7.00443 7.59527 9.82982 8.60004 13.1849 8.71789 numMergedOcc 0
10 mol 154 unq 1 iso 0 dist 7.00443 7.59527 9.82982 10.0692 11.4511 5.2693 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 6.64084 9.87921 6.11331 17.2528 10.8263 9.97968 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 5.14185 5.35456 8.999 10.2527 11.6944 7.47964 numMergedOcc 0
13 mol 195 unq 0 iso 0 dist 7.92844 9.93408 6.34234 13.4264 6.0634 6.22742 numMergedOcc 0
14 mol 195 unq 1 iso 0 dist 7.92844 4.3166 7.87972 13.0323 11.4252 9.24936 numMergedOcc 0
15 mol 212 unq 0 iso 0 dist 4.72269 7.52135 5.50658 12.6328 12.8059 9.10288 numMergedOcc 0
16 mol 212 unq 1 iso 0 dist 4.72269 7.52135 5.50658 12.7684 10.7914 6.19798 numMergedOcc 0
17 mol 212 unq 2 iso 0 dist 4.72269 7.52135 5.50658 13.5967 10.2513 7.24895 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 9.20514 4.54444 8.21997 5.82124 4.23527 5.31416 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 5.6241 4.58625 9.14068 5.91739 5.92456 6.15635 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 7.30709 4.58993 9.50634 10.1774 7.16782 9.31888 numMergedOcc 0
21 mol 273 unq 0 iso 0 dist 7.63525 9.23419 5.4307 14.7107 9.76492 5.61969 numMergedOcc 0
22 mol 273 unq 1 iso 0 dist 7.63525 9.23419 5.4307 17.9021 11.5256 9.0277 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 9.56438 15.4744 7.37478 13.7763 5.89415 8.98854 numMergedOcc 0
24 mol 279 unq 1 iso 0 dist 9.56438 15.4744 7.37478 22.4156 15.1378 9.42255 numMergedOcc 0
