0 mol 34 unq 0 iso 0 dist 9.3613 8.36524 12.6572 8.8717 17.5627 14.0576 numMergedOcc 0
1 mol 70 unq 0 iso 0 dist 9.26484 8.30653 11.3192 9.33262 14.3985 14.4239 numMergedOcc 0
2 mol 70 unq 1 iso 0 dist 9.26484 6.91739 6.39257 9.33262 14.3985 10.4473 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 9.48319 9.86416 15.2271 9.93908 14.0049 4.64184 numMergedOcc 0
4 mol 94 unq 0 iso 0 dist 6.63924 6.31237 6.0901 7.63006 9.5377 5.60279 numMergedOcc 0
5 mol 128 unq 0 iso 0 dist 8.20904 8.3127 11.1747 7.03633 12.0449 4.81686 numMergedOcc 0
6 mol 189 unq 0 iso 0 dist 8.01521 8.59972 6.36139 9.5853 8.53414 5.4905 numMergedOcc 0
7 mol 206 unq 0 iso 0 dist 9.0815 9.90891 5.91558 7.47477 12.4995 12.7863 numMergedOcc 0
8 mol 209 unq 0 iso 0 dist 9.20752 5.92907 9.95971 9.95951 14.6137 5.96694 numMergedOcc 0
9 mol 209 unq 1 iso 0 dist 9.20752 5.92907 9.95971 6.43914 13.8537 4.90038 numMergedOcc 0
10 mol 225 unq 0 iso 0 dist 8.33143 8.14464 14.7684 6.06105 6.06047 9.4364 numMergedOcc 0
11 mol 225 unq 1 iso 0 dist 8.33143 9.93754 6.89798 6.06105 6.06047 10.6484 numMergedOcc 0
12 mol 236 unq 0 iso 0 dist 5.46484 8.95071 6.49831 9.33359 10.151 7.00028 numMergedOcc 0
13 mol 252 unq 0 iso 0 dist 5.41885 7.91348 5.96471 9.45457 11.8314 8.24423 numMergedOcc 0
14 mol 261 unq 0 iso 0 dist 6.93654 9.80409 13.3163 5.67349 11.2562 6.04016 numMergedOcc 0
15 mol 261 unq 1 iso 0 dist 9.66298 9.80409 13.6041 5.67349 13.4429 6.04016 numMergedOcc 0
16 mol 278 unq 0 iso 0 dist 7.74708 9.91518 4.69872 9.06043 4.81101 6.54009 numMergedOcc 0
17 mol 278 unq 1 iso 0 dist 6.03414 9.91518 8.66976 9.06043 9.30287 6.54009 numMergedOcc 0
18 mol 278 unq 2 iso 0 dist 9.82026 9.91518 17.1306 9.06043 16.5354 6.54009 numMergedOcc 0
19 mol 280 unq 0 iso 0 dist 8.64546 6.94723 6.0971 7.53074 10.8495 5.76687 numMergedOcc 0
20 mol 280 unq 1 iso 0 dist 4.55639 6.94723 6.96139 7.53074 6.43281 5.76687 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 4.98604 7.95849 5.10722 9.79154 9.12324 6.7501 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 4.98604 7.95849 5.10722 9.79154 9.12324 6.7501 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 4.98604 7.95849 5.10722 9.79154 9.12324 6.7501 numMergedOcc 0
