0 mol 61 unq 0 iso 0 dist 8.46313 3.88133 7.52103 9.46304 6.72123 6.16737 18.3123 11.5608 15.5461 9.62468 numMergedOcc 0
1 mol 61 unq 1 iso 0 dist 8.46313 3.88133 7.52103 9.46304 6.72123 6.16737 13.4808 10.1513 10.9902 5.92705 numMergedOcc 0
2 mol 61 unq 2 iso 0 dist 8.46313 12.1397 8.46556 9.46304 6.72123 4.90701 18.3123 11.5608 9.67403 9.62468 numMergedOcc 0
3 mol 61 unq 3 iso 0 dist 8.46313 12.1397 8.46556 9.46304 6.72123 4.90701 13.4808 10.1513 9.7314 5.92705 numMergedOcc 0
4 mol 101 unq 0 iso 0 dist 7.42893 4.58154 5.22543 5.81947 6.57035 4.50603 5.58941 5.16122 5.5199 8.77773 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 8.98848 4.82309 6.90827 14.6144 7.90328 10.4485 21.9621 14.3476 18.0633 7.70533 numMergedOcc 0
6 mol 117 unq 1 iso 0 dist 8.98848 3.47603 8.90977 14.6144 7.90328 13.8755 21.9621 14.3476 20.747 7.70533 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 7.85025 13.039 5.82404 11.5948 6.80239 4.64588 13.8387 7.96098 6.23615 6.11955 numMergedOcc 0
8 mol 180 unq 0 iso 0 dist 7.24785 16.5686 9.88732 14.0966 9.62337 6.54937 16.4529 9.76368 5.43774 8.44989 numMergedOcc 0
9 mol 180 unq 1 iso 0 dist 7.24785 11.9699 5.77949 14.0966 9.62337 6.91082 16.4529 9.76368 8.31061 8.44989 numMergedOcc 0
10 mol 180 unq 2 iso 0 dist 7.24785 14.8912 8.68403 14.0966 9.62337 10.1423 16.4529 9.76368 9.91767 8.44989 numMergedOcc 0
11 mol 180 unq 3 iso 0 dist 7.24785 4.80648 5.80441 14.0966 9.62337 9.82186 16.4529 9.76368 13.9189 8.44989 numMergedOcc 0
12 mol 180 unq 4 iso 0 dist 7.53287 15.4961 9.88732 14.0344 9.62337 6.54937 16.9476 9.76368 5.43774 8.44989 numMergedOcc 0
13 mol 180 unq 5 iso 0 dist 7.53287 10.2233 5.77949 14.0344 9.62337 6.91082 16.9476 9.76368 8.31061 8.44989 numMergedOcc 0
14 mol 180 unq 6 iso 0 dist 7.53287 12.1751 8.68403 14.0344 9.62337 10.1423 16.9476 9.76368 9.91767 8.44989 numMergedOcc 0
15 mol 180 unq 7 iso 0 dist 7.53287 5.28726 5.80441 14.0344 9.62337 9.82186 16.9476 9.76368 13.9189 8.44989 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 9.68636 12.8446 8.6537 10.705 8.22528 8.65216 15.883 11.9226 17.1493 9.84492 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 7.17987 14.3029 7.86368 14.7629 9.45496 12.0816 11.1153 6.16697 9.36753 5.89084 numMergedOcc 0
18 mol 234 unq 1 iso 0 dist 7.17987 14.3029 7.86368 13.5847 6.7625 6.94762 11.1153 6.16697 9.36753 8.47009 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 6.0087 13.2917 8.90987 5.81354 8.35971 16.8883 5.50501 10.054 16.9859 8.77254 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 9.94587 5.6925 6.24928 4.3284 6.57393 5.33567 9.74212 10.8336 12.1043 6.83152 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 9.89728 18.6806 9.54857 5.07898 7.46176 15.3806 13.4783 11.8501 17.6082 9.58006 numMergedOcc 0
