0 mol 26 unq 0 iso 0 dist 8.6112 8.62693 6.66387 14.8978 11.1296 7.84204 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 4.67917 8.17564 8.85727 4.82623 8.7777 7.92479 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 4.67917 8.17564 8.85727 8.76577 10.3251 7.86646 numMergedOcc 0
3 mol 59 unq 2 iso 0 dist 5.81747 8.17564 4.07863 4.82623 4.90216 7.92479 numMergedOcc 0
4 mol 59 unq 3 iso 0 dist 5.81747 8.17564 4.07863 8.76577 9.84217 7.86646 numMergedOcc 0
5 mol 59 unq 4 iso 0 dist 6.88924 7.19213 8.85727 6.24283 8.7777 7.92479 numMergedOcc 0
6 mol 59 unq 5 iso 0 dist 6.88924 7.19213 8.85727 5.00893 10.3251 7.86646 numMergedOcc 0
7 mol 59 unq 6 iso 0 dist 6.81975 7.19213 4.07863 6.24283 4.90216 7.92479 numMergedOcc 0
8 mol 59 unq 7 iso 0 dist 6.81975 7.19213 4.07863 5.00893 9.84217 7.86646 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 9.4022 8.39101 4.42702 7.43211 9.75161 6.92381 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 8.92399 9.4909 9.26242 12.3912 15.5718 7.03887 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 8.92399 9.4909 9.26242 11.2645 14.2007 5.36451 numMergedOcc 0
12 mol 78 unq 2 iso 0 dist 8.92399 9.4909 9.26242 15.9147 17.4512 9.28354 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 8.36326 6.64631 4.41983 12.1081 11.8578 9.51981 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 8.53731 7.25217 5.28095 5.21212 8.66766 8.61909 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 5.75545 5.41368 4.48609 3.55808 8.17301 7.61421 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 8.86645 7.96182 4.48609 6.33098 8.17301 7.61421 numMergedOcc 0
17 mol 187 unq 0 iso 0 dist 7.81168 8.26654 13.0397 3.86201 11.1483 9.87719 numMergedOcc 0
18 mol 212 unq 0 iso 0 dist 7.53582 9.15316 6.91212 8.689 10.9741 6.07371 numMergedOcc 0
19 mol 212 unq 1 iso 0 dist 7.53582 9.15316 6.91212 12.2861 13.8152 7.98532 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 8.80167 9.39099 16.3761 7.89413 16.6829 7.72298 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 8.92054 8.19915 5.52698 3.76405 8.1174 9.11149 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 5.30455 8.46351 6.58569 9.58753 6.69951 9.61028 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 7.34794 8.46351 5.63099 9.58753 10.3558 9.61028 numMergedOcc 0
24 mol 285 unq 0 iso 0 dist 8.12306 8.96754 10.7671 7.01472 10.1649 6.01404 numMergedOcc 0
25 mol 286 unq 0 iso 0 dist 5.03123 8.39965 7.82593 3.85003 8.14957 7.79622 numMergedOcc 0
