0 mol 34 unq 0 iso 0 dist 6.85305 5.84422 5.2422 16.2037 9.99939 14.9436 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 7.14865 10.0636 9.20523 6.31365 8.06267 14.6873 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 7.14865 10.0636 9.20523 5.08329 5.88334 11.7508 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 7.16583 9.00615 8.2147 4.79348 9.16597 11.7519 numMergedOcc 0
4 mol 75 unq 1 iso 0 dist 7.118 10.7293 8.2147 4.79489 9.16597 11.7519 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 5.49623 6.67981 6.09906 6.51961 5.25027 4.91617 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 5.49623 6.67981 6.09906 4.08459 4.37025 8.05938 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 8.39771 16.9308 9.45397 13.188 9.63963 14.5521 numMergedOcc 0
8 mol 174 unq 0 iso 0 dist 4.93781 7.64386 6.04817 6.16051 5.61673 5.01986 numMergedOcc 0
9 mol 174 unq 1 iso 0 dist 9.32818 6.0574 6.04817 6.8465 5.61673 5.01986 numMergedOcc 0
10 mol 174 unq 2 iso 0 dist 7.03029 5.38744 6.04817 4.40064 5.61673 5.01986 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 6.53736 7.79985 8.71409 10.061 6.85824 10.8881 numMergedOcc 0
12 mol 210 unq 1 iso 0 dist 8.18851 9.95839 8.71409 5.11839 6.85824 10.8881 numMergedOcc 0
13 mol 222 unq 0 iso 0 dist 8.69148 8.37449 5.47561 7.53235 5.1609 9.2281 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 7.47238 16.9546 9.95045 6.89215 8.25985 15.2257 numMergedOcc 0
15 mol 232 unq 1 iso 0 dist 7.47238 16.9546 9.95045 11.652 9.27788 11.1518 numMergedOcc 0
16 mol 240 unq 0 iso 0 dist 6.01168 11.1967 9.68888 8.41875 5.77749 9.19419 numMergedOcc 0
17 mol 240 unq 1 iso 0 dist 6.83069 9.79222 9.68888 6.72226 5.77749 9.19419 numMergedOcc 0
18 mol 256 unq 0 iso 0 dist 8.43264 7.68659 5.98967 5.24147 4.80903 7.06908 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 9.67877 16.1624 8.40766 13.3447 8.03012 4.2886 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 8.27417 10.5216 8.80588 5.97356 6.01897 9.17893 numMergedOcc 0
