0 mol 12 unq 0 iso 0 dist 9.7652 8.98903 7.13046 11.0008 4.25774 4.76018 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 6.6691 7.03296 4.76018 9.23807 4.25774 7.13046 numMergedOcc 0
2 mol 12 unq 2 iso 0 dist 9.23807 7.03296 7.13046 6.6691 4.25774 4.76018 numMergedOcc 0
3 mol 17 unq 0 iso 0 dist 7.8304 9.90289 7.82406 5.74567 7.31113 9.877 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 5.74567 9.90289 9.877 7.8304 7.31113 7.82406 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 7.1113 9.34692 8.19695 11.6281 6.60936 7.02548 numMergedOcc 0
6 mol 128 unq 0 iso 0 dist 9.05678 5.53962 7.75012 8.73383 10.8727 6.98158 numMergedOcc 0
7 mol 128 unq 1 iso 0 dist 8.73383 5.53962 6.98158 9.05678 10.8727 7.75012 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 7.7461 8.88349 6.90634 13.1243 12.1655 9.62236 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.81111 15.0866 7.31037 13.5343 6.33946 4.25566 numMergedOcc 0
10 mol 146 unq 0 iso 0 dist 6.47434 5.03111 6.50043 10.8163 5.54669 9.44952 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 8.14167 13.5257 6.64779 13.9632 7.69792 8.41245 numMergedOcc 0
12 mol 237 unq 0 iso 0 dist 9.46558 4.83701 5.98039 11.3211 5.62416 9.48932 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 9.49129 5.05275 8.90076 6.80544 6.25098 6.62002 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 9.49129 15.0682 6.87131 12.0671 4.34277 8.81629 numMergedOcc 0
15 mol 238 unq 2 iso 0 dist 9.49129 15.0682 6.87131 6.80544 6.25098 9.69818 numMergedOcc 0
16 mol 238 unq 3 iso 0 dist 9.49129 13.1727 8.09718 6.80544 6.25098 6.73446 numMergedOcc 0
17 mol 238 unq 4 iso 0 dist 6.80544 5.05275 6.62002 9.49129 6.25098 8.90076 numMergedOcc 0
18 mol 238 unq 5 iso 0 dist 6.80544 15.0682 9.69818 12.0671 8.96242 8.81629 numMergedOcc 0
19 mol 238 unq 6 iso 0 dist 6.80544 15.0682 9.69818 9.49129 6.25098 6.87131 numMergedOcc 0
20 mol 238 unq 7 iso 0 dist 6.80544 13.1727 6.73446 9.49129 6.25098 8.09718 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 8.87182 4.81796 7.02079 5.95622 11.3911 5.88802 numMergedOcc 0
22 mol 239 unq 1 iso 0 dist 5.95622 4.81796 5.88802 8.87182 11.3911 7.02079 numMergedOcc 0
