0 mol 15 unq 0 iso 0 dist 4.27439 9.60736 11.1852 11.4242 15.2388 8.85174 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 9.32273 6.86162 5.37928 6.60662 8.54845 9.2898 numMergedOcc 0
2 mol 56 unq 1 iso 0 dist 7.96214 6.86162 12.0466 6.60662 14.2601 9.2898 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.82919 5.82829 3.58984 5.44752 9.94491 6.56212 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 7.81025 8.76815 8.41932 11.0447 14.3324 9.8703 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 7.81025 8.76815 8.41932 5.4779 6.87176 7.39665 numMergedOcc 0
6 mol 205 unq 0 iso 0 dist 6.73513 6.3407 6.31671 8.9058 11.8897 7.21137 numMergedOcc 0
7 mol 205 unq 1 iso 0 dist 6.73513 6.3407 6.31671 10.4602 6.57849 8.4844 numMergedOcc 0
8 mol 224 unq 0 iso 0 dist 9.02319 8.55819 16.5165 5.30529 10.2166 6.99769 numMergedOcc 0
9 mol 224 unq 1 iso 0 dist 9.02319 8.55819 16.5165 10.5504 13.6975 8.79428 numMergedOcc 0
10 mol 224 unq 2 iso 0 dist 9.02319 8.55819 16.5165 12.7033 19.4037 6.8692 numMergedOcc 0
11 mol 224 unq 3 iso 0 dist 9.86201 8.55819 4.69994 5.30529 7.25658 6.99769 numMergedOcc 0
12 mol 224 unq 4 iso 0 dist 9.86201 8.55819 4.69994 10.5504 10.8312 8.79428 numMergedOcc 0
13 mol 224 unq 5 iso 0 dist 9.86201 8.55819 4.69994 12.7033 11.1589 6.8692 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 5.95601 9.69367 6.80826 12.61 12.776 7.27993 numMergedOcc 0
15 mol 229 unq 1 iso 0 dist 5.95601 9.69367 6.80826 12.7466 13.2981 9.51168 numMergedOcc 0
16 mol 229 unq 2 iso 0 dist 5.95601 9.69367 6.80826 6.23286 8.0007 6.95201 numMergedOcc 0
17 mol 233 unq 0 iso 0 dist 8.41604 7.86214 9.13536 10.8561 14.4922 8.51625 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 9.98041 9.93282 10.9987 5.69584 11.1532 5.85442 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 9.98041 9.93282 10.9987 15.3167 17.6788 6.9899 numMergedOcc 0
20 mol 259 unq 2 iso 0 dist 9.98041 8.90555 8.41608 6.00315 6.96379 9.46361 numMergedOcc 0
21 mol 259 unq 3 iso 0 dist 9.98041 8.90555 8.41608 5.69584 11.1532 6.95511 numMergedOcc 0
22 mol 259 unq 4 iso 0 dist 8.43646 9.93282 10.8479 5.69584 11.1172 5.85442 numMergedOcc 0
23 mol 259 unq 5 iso 0 dist 8.43646 9.93282 10.8479 15.3167 17.0949 6.9899 numMergedOcc 0
24 mol 259 unq 6 iso 0 dist 8.43646 8.90555 7.94707 6.00315 11.8745 9.46361 numMergedOcc 0
25 mol 259 unq 7 iso 0 dist 8.43646 8.90555 7.94707 5.69584 11.1172 6.95511 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 9.38624 8.71745 6.03488 9.92863 13.6276 9.9886 numMergedOcc 0
