0 mol 32 unq 0 iso 0 dist 9.28158 7.29783 3.95884 8.70331 4.52962 5.33785 14.036 11.4833 13.8141 8.91596 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 7.48127 6.97936 6.1999 5.91098 8.58474 3.35924 10.2219 14.6364 9.76346 7.61521 numMergedOcc 0
2 mol 129 unq 0 iso 0 dist 7.6453 9.31543 9.82512 4.4077 6.61102 9.74071 4.80675 8.00624 6.69691 7.97548 numMergedOcc 0
3 mol 129 unq 1 iso 0 dist 7.6453 9.31543 9.82512 4.4077 6.61102 9.74071 5.57362 11.5175 10.5979 9.9291 numMergedOcc 0
4 mol 129 unq 2 iso 0 dist 7.6453 9.31543 9.82512 4.4077 6.61102 9.74071 7.01358 8.42289 15.3611 7.32151 numMergedOcc 0
5 mol 129 unq 3 iso 0 dist 7.6453 9.31543 9.82512 8.4874 9.0678 6.92699 4.80675 8.00624 6.69691 9.64164 numMergedOcc 0
6 mol 129 unq 4 iso 0 dist 7.6453 8.85652 6.31483 4.4077 6.61102 9.87781 4.80675 8.00624 5.51197 7.97548 numMergedOcc 0
7 mol 129 unq 5 iso 0 dist 7.6453 8.85652 6.31483 4.4077 6.61102 9.87781 5.57362 11.5175 9.97604 9.9291 numMergedOcc 0
8 mol 129 unq 6 iso 0 dist 7.6453 8.85652 6.31483 4.4077 6.61102 9.87781 7.01358 8.42289 12.8996 7.32151 numMergedOcc 0
9 mol 129 unq 7 iso 0 dist 7.6453 8.85652 6.31483 8.4874 9.0678 9.93375 4.80675 8.00624 5.51197 9.64164 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 4.81837 5.63283 4.7106 8.83628 9.70513 8.93955 14.3203 17.0191 14.2129 9.31158 numMergedOcc 0
11 mol 205 unq 1 iso 0 dist 6.43519 5.63283 10.4922 8.83628 6.82382 8.93955 14.3203 11.2748 14.2129 9.31158 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 5.86911 8.44407 4.54444 9.46274 14.085 15.9748 14.5108 19.5839 19.873 9.06459 numMergedOcc 0
13 mol 214 unq 1 iso 0 dist 5.86911 6.0155 7.05353 9.46274 14.085 10.9698 14.5108 19.5839 13.9627 9.06459 numMergedOcc 0
14 mol 214 unq 2 iso 0 dist 5.86911 8.89981 12.9344 9.46274 14.085 5.22858 14.5108 19.5839 13.7978 9.06459 numMergedOcc 0
15 mol 214 unq 3 iso 0 dist 7.89258 8.44407 5.33718 9.46274 12.4498 15.9748 14.5108 17.6894 19.873 9.06459 numMergedOcc 0
16 mol 214 unq 4 iso 0 dist 7.89258 6.0155 5.12324 9.46274 12.4498 10.9698 14.5108 17.6894 13.9627 9.06459 numMergedOcc 0
17 mol 214 unq 5 iso 0 dist 7.89258 8.89981 12.8738 9.46274 12.4498 5.22858 14.5108 17.6894 13.7978 9.06459 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 8.15119 9.91103 13.1828 4.1545 9.21484 5.9732 10.4297 9.92831 5.46926 7.42932 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 8.15119 9.91103 13.1828 4.1545 9.21484 5.9732 5.77904 4.81916 8.9682 4.9764 numMergedOcc 0
20 mol 277 unq 2 iso 0 dist 8.15119 9.91103 13.1828 4.25172 10.3506 8.61922 5.77904 4.81916 8.9682 6.36559 numMergedOcc 0
21 mol 277 unq 3 iso 0 dist 8.15119 7.0603 10.6994 4.1545 9.21484 3.79766 10.4297 9.92831 5.13913 7.42932 numMergedOcc 0
22 mol 277 unq 4 iso 0 dist 8.15119 7.0603 10.6994 4.1545 9.21484 3.79766 5.77904 4.81916 6.92711 4.9764 numMergedOcc 0
23 mol 277 unq 5 iso 0 dist 8.15119 7.0603 10.6994 4.25172 10.3506 7.07613 5.77904 4.81916 6.92711 6.36559 numMergedOcc 0
24 mol 283 unq 0 iso 0 dist 9.28067 7.18295 5.62752 5.38739 8.09099 3.08947 6.41403 14.8501 11.8288 9.07995 numMergedOcc 0
25 mol 285 unq 0 iso 0 dist 7.872 5.49829 3.05975 7.08681 11.2722 8.34667 9.237 15.1926 12.3855 5.03601 numMergedOcc 0
26 mol 285 unq 1 iso 0 dist 7.872 6.24134 11.5704 7.08681 11.2722 4.98469 9.237 15.1926 7.80862 5.03601 numMergedOcc 0
27 mol 285 unq 2 iso 0 dist 6.32984 5.49829 5.76392 7.08681 3.57803 8.34667 9.237 8.46833 12.3855 5.03601 numMergedOcc 0
28 mol 285 unq 3 iso 0 dist 6.32984 6.24134 4.4744 7.08681 3.57803 4.98469 9.237 8.46833 7.80862 5.03601 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 6.45597 6.06665 5.19406 8.73403 3.65914 8.63376 5.10722 9.32175 10.85 9.76232 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 6.45597 6.06665 5.19406 8.73403 3.65914 8.63376 5.10722 9.32175 10.85 9.76232 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 6.45597 6.06665 5.19406 8.73403 3.65914 8.63376 5.10722 9.32175 10.85 9.76232 numMergedOcc 0
