0 mol 45 unq 0 iso 0 dist 8.98789 6.72134 8.50375 11.951 5.85737 7.70625 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 8.98789 6.72134 8.50375 7.97558 3.61653 6.01423 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.78668 6.82593 8.55712 7.88172 10.7828 7.6481 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 7.36335 6.12826 5.32369 7.44343 3.87825 6.72712 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 7.36335 5.02124 7.03417 7.2131 9.04084 7.1539 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 7.36335 5.02124 7.03417 7.44343 3.87825 5.39745 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 9.00059 6.64548 8.61909 7.78223 3.67473 6.13559 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 9.87517 17.9949 8.61909 12.2512 3.67473 6.13559 numMergedOcc 0
8 mol 114 unq 2 iso 0 dist 7.90713 14.5862 8.61909 10.0602 3.67473 6.13559 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 9.79115 14.8266 7.92317 15.3036 9.58331 9.62236 numMergedOcc 0
10 mol 130 unq 1 iso 0 dist 9.79115 14.8266 7.92317 11.8788 3.90693 6.90634 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 9.80185 10.3678 6.50336 11.8903 3.80087 4.25566 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 9.80185 10.3678 6.50336 7.35385 3.80763 7.31037 numMergedOcc 0
13 mol 141 unq 2 iso 0 dist 7.43587 8.51234 9.68074 13.3797 8.79381 8.75562 numMergedOcc 0
14 mol 141 unq 3 iso 0 dist 7.43587 8.51234 9.68074 9.80549 5.16197 8.00449 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 9.15935 9.73855 8.22067 10.0516 5.64188 6.05323 numMergedOcc 0
16 mol 156 unq 1 iso 0 dist 8.24388 10.9497 8.22067 11.8338 5.64188 6.05323 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 6.19329 4.97806 7.61421 10.0499 13.4378 7.13252 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 9.8226 6.14528 5.69634 10.5552 6.67757 7.43663 numMergedOcc 0
19 mol 234 unq 1 iso 0 dist 9.8226 11.0167 7.35086 13.0998 3.64991 9.25517 numMergedOcc 0
20 mol 234 unq 2 iso 0 dist 9.8226 15.0842 6.81195 10.5552 6.67757 7.94068 numMergedOcc 0
21 mol 234 unq 3 iso 0 dist 9.8226 15.0842 6.81195 13.0998 3.64991 7.22019 numMergedOcc 0
22 mol 234 unq 4 iso 0 dist 9.2653 5.43106 5.69634 12.8308 6.67757 7.43663 numMergedOcc 0
23 mol 234 unq 5 iso 0 dist 9.2653 4.69096 7.35086 12.1073 3.64991 9.25517 numMergedOcc 0
24 mol 234 unq 6 iso 0 dist 9.2653 12.788 6.81195 12.8308 6.67757 7.94068 numMergedOcc 0
25 mol 234 unq 7 iso 0 dist 9.2653 12.788 6.81195 12.1073 3.64991 7.22019 numMergedOcc 0
26 mol 234 unq 8 iso 0 dist 8.33309 13.0843 5.69634 12.5509 6.67757 7.43663 numMergedOcc 0
27 mol 234 unq 9 iso 0 dist 8.33309 11.0142 7.35086 5.68253 3.64991 9.25517 numMergedOcc 0
28 mol 234 unq 10 iso 0 dist 8.33309 6.7061 6.81195 12.5509 6.67757 7.94068 numMergedOcc 0
29 mol 234 unq 11 iso 0 dist 8.33309 6.7061 6.81195 5.68253 3.64991 7.22019 numMergedOcc 0
30 mol 250 unq 0 iso 0 dist 8.54286 5.85862 8.73744 5.99119 4.14699 5.97993 numMergedOcc 0
31 mol 250 unq 1 iso 0 dist 8.54286 6.88928 6.61917 5.99119 4.14699 6.44252 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 6.80043 4.98228 5.94614 7.49913 6.31696 5.40318 numMergedOcc 0
33 mol 278 unq 0 iso 0 dist 7.45915 14.8801 9.94661 17.5928 14.4818 7.48235 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 9.78064 5.89971 7.77225 8.9316 3.96271 5.59555 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 9.78064 5.89971 7.77225 8.9316 3.96271 5.59555 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 9.78064 5.89971 7.77225 8.9316 3.96271 5.59555 numMergedOcc 0
37 mol 292 unq 0 iso 0 dist 7.89784 7.32101 3.93401 9.78409 4.30125 5.7131 numMergedOcc 0
38 mol 292 unq 1 iso 0 dist 7.83983 5.737 3.93401 9.46421 4.30125 5.7131 numMergedOcc 0
