0 mol 45 unq 0 iso 0 dist 7.97558 8.98789 3.61653 6.72134 6.01423 8.50375 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.78475 7.87476 10.6665 5.90067 13.4125 8.92898 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.88172 9.78668 10.7828 6.82593 7.6481 8.55712 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 7.2131 7.36335 9.04084 6.12826 10.8245 5.32369 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 7.2131 7.36335 9.04084 5.02124 7.1539 7.03417 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 7.44343 7.36335 3.87825 6.12826 6.72712 5.32369 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 7.44343 7.36335 3.87825 5.02124 5.39745 7.03417 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 7.78223 9.00059 3.67473 6.64548 6.13559 8.61909 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 7.78223 9.00059 3.67473 13.0805 9.52562 5.96977 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 9.39811 6.94015 7.16011 5.53162 14.1191 9.24546 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 7.35385 9.80185 3.80763 10.3678 7.31037 6.50336 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 8.35864 9.80185 9.98068 10.3678 13.4855 6.50336 numMergedOcc 0
12 mol 141 unq 2 iso 0 dist 9.80549 7.43587 5.16197 8.51234 8.00449 9.68074 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 5.11444 8.78397 5.83776 9.92336 11.4982 9.70169 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 9.6281 9.15935 18.3899 9.73855 16.0984 8.22067 numMergedOcc 0
15 mol 156 unq 1 iso 0 dist 9.6281 9.15935 18.3899 7.36802 12.433 8.90564 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 9.53805 7.005 5.39534 5.74407 9.49226 6.24036 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 5.68253 8.33309 3.64991 13.0843 9.28101 5.69634 numMergedOcc 0
18 mol 234 unq 1 iso 0 dist 5.68253 8.33309 3.64991 11.9483 10.5308 7.91374 numMergedOcc 0
19 mol 234 unq 2 iso 0 dist 5.68253 8.33309 3.64991 11.0142 9.25517 7.35086 numMergedOcc 0
20 mol 234 unq 3 iso 0 dist 5.68253 8.33309 3.64991 6.7061 7.22019 6.81195 numMergedOcc 0
21 mol 250 unq 0 iso 0 dist 5.99119 8.54286 4.14699 5.85862 5.97993 8.73744 numMergedOcc 0
22 mol 250 unq 1 iso 0 dist 5.99119 8.54286 4.14699 6.88928 6.44252 6.61917 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 7.49913 6.80043 6.31696 10.3184 13.9273 8.03604 numMergedOcc 0
24 mol 265 unq 1 iso 0 dist 7.49913 6.80043 6.31696 4.98228 5.40318 5.94614 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 5.92532 9.48076 12.1127 8.46112 13.3793 8.13595 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 6.72935 7.15322 6.1459 7.35639 12.0156 9.66832 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 8.9316 9.78064 3.96271 5.89971 5.59555 7.77225 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 8.9316 9.78064 3.96271 5.89971 5.59555 7.77225 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 8.9316 9.78064 3.96271 5.89971 5.59555 7.77225 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 9.46421 7.83983 4.30125 5.737 5.7131 3.93401 numMergedOcc 0
