0 mol 16 unq 0 iso 0 dist 9.56648 6.36377 5.35079 9.05346 5.1298 6.2983 5.48395 5.84479 6.31718 5.47769 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 9.56648 6.36377 5.35079 9.05346 5.1298 6.2983 10.1011 8.67719 10.9143 6.58035 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 5.70814 7.7978 6.34264 8.68726 9.54 6.7583 6.8958 6.48625 7.17396 12.4686 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 6.23298 9.46247 10.8254 5.70192 5.52457 10.331 11.8103 9.9348 19.9982 10.9168 numMergedOcc 0
4 mol 110 unq 0 iso 0 dist 5.43052 8.181 9.01856 9.29817 5.17209 8.79503 9.24029 7.21229 14.5056 11.7786 numMergedOcc 0
5 mol 110 unq 1 iso 0 dist 5.43052 8.181 9.01856 9.29817 5.17209 8.79503 8.50777 5.25492 14.1413 9.24502 numMergedOcc 0
6 mol 155 unq 0 iso 0 dist 6.53806 6.7973 6.68061 9.89699 5.15684 10.2071 9.88413 7.02715 11.6934 10.8056 numMergedOcc 0
7 mol 155 unq 1 iso 0 dist 6.53806 6.7973 6.68061 9.16944 5.84938 4.9093 9.88413 7.02715 11.6934 8.87452 numMergedOcc 0
8 mol 219 unq 0 iso 0 dist 8.62654 4.87446 10.1098 7.15624 10.2112 4.52622 9.31035 9.77442 13.9267 15.3191 numMergedOcc 0
9 mol 219 unq 1 iso 0 dist 8.62654 7.49235 5.49378 7.15624 10.2112 5.13707 9.31035 9.77442 13.0405 15.3191 numMergedOcc 0
10 mol 227 unq 0 iso 0 dist 6.14732 9.07872 13.552 8.82471 6.07589 16.8875 10.9746 9.18675 16.3967 5.86443 numMergedOcc 0
11 mol 234 unq 0 iso 0 dist 9.36753 7.86368 6.16697 7.24774 11.9454 7.50943 12.0816 5.89084 9.45496 16.1247 numMergedOcc 0
12 mol 234 unq 1 iso 0 dist 9.36753 7.86368 6.16697 7.24774 11.9454 7.50943 6.94762 8.47009 6.7625 11.1284 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 9.46728 8.59074 16.5687 9.46582 6.23871 13.7993 11.9383 6.83152 18.6428 12.0632 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 9.46728 8.59074 16.5687 9.46582 6.23871 13.7993 9.23693 5.24313 14.6111 7.67322 numMergedOcc 0
15 mol 238 unq 2 iso 0 dist 9.46728 8.59074 16.5687 9.77231 10.1372 13.069 11.9383 6.83152 18.6428 16.3609 numMergedOcc 0
16 mol 238 unq 3 iso 0 dist 9.46728 8.59074 16.5687 9.77231 10.1372 13.069 9.23693 5.24313 14.6111 12.3367 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 5.22111 9.12507 12.3218 8.46351 9.53336 5.32839 5.41945 7.93997 11.858 10.4634 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 8.26851 6.55855 13.002 8.62431 4.05661 14.168 4.56913 6.00877 10.7806 6.50589 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 8.26851 9.52894 17.6855 8.62431 4.05661 17.7203 4.56913 6.00877 13.5896 6.50589 numMergedOcc 0
20 mol 274 unq 2 iso 0 dist 8.14634 6.55855 10.2307 8.62431 7.47324 14.168 4.56913 8.66451 10.7806 6.50589 numMergedOcc 0
21 mol 274 unq 3 iso 0 dist 8.14634 9.52894 16.0912 8.62431 7.47324 17.7203 4.56913 8.66451 13.5896 6.50589 numMergedOcc 0
