0 mol 53 unq 0 iso 0 dist 8.83047 14.3035 7.09169 8.60221 4.75776 8.19773 5.86191 6.2676 9.22034 5.04054 numMergedOcc 0
1 mol 53 unq 1 iso 0 dist 6.95013 5.02495 7.09169 9.61297 4.75776 8.19773 8.21791 6.2676 9.22034 5.04054 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 6.78356 14.6957 8.63486 7.66366 6.91393 12.8132 11.5077 5.07125 6.15355 8.12964 numMergedOcc 0
3 mol 56 unq 1 iso 0 dist 6.78356 14.6957 8.63486 5.79574 8.40038 16.7219 11.5077 5.07125 6.15355 11.6453 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.91206 12.3394 8.03303 16.3838 8.58543 8.92736 13.1036 7.69861 8.96557 5.24993 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.67513 14.4506 8.03303 10.3777 8.58543 8.92736 7.16384 7.69861 8.96557 5.24993 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 8.99731 7.64822 5.72642 4.64486 8.71286 7.21418 6.3642 8.4965 5.03039 8.80697 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.84146 13.7656 7.77116 16.2159 8.03035 4.91132 15.9454 9.6121 6.9194 6.71103 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 8.84146 13.7656 7.77116 16.2159 8.03035 4.91132 17.7274 9.57341 9.68677 6.29394 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 8.84146 13.7656 7.77116 11.6573 7.6968 6.08167 15.9454 9.6121 6.9194 12.4868 numMergedOcc 0
10 mol 119 unq 3 iso 0 dist 8.84146 13.7656 7.77116 11.6573 7.6968 6.08167 17.7274 9.57341 9.68677 9.64502 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 9.19078 7.17016 9.77552 6.79236 6.39031 7.2238 9.3543 6.92726 12.4535 5.55763 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 9.19078 11.3742 8.28642 6.79236 6.39031 5.59336 9.3543 6.92726 9.84297 5.55763 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 4.97005 11.3961 9.56197 10.0516 7.55358 9.27818 10.2673 8.57801 6.89047 13.0608 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 4.97005 11.3961 9.56197 5.57831 7.60991 9.55926 10.2673 8.57801 6.89047 11.868 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 4.97005 10.0248 7.24795 10.0516 7.55358 13.0197 10.2673 8.57801 3.90244 13.0608 numMergedOcc 0
16 mol 186 unq 3 iso 0 dist 4.97005 10.0248 7.24795 5.57831 7.60991 12.9082 10.2673 8.57801 3.90244 11.868 numMergedOcc 0
17 mol 186 unq 4 iso 0 dist 4.97005 9.14781 8.64409 10.0516 7.55358 4.37002 10.2673 8.57801 12.6058 13.0608 numMergedOcc 0
18 mol 186 unq 5 iso 0 dist 4.97005 9.14781 8.64409 5.57831 7.60991 4.64235 10.2673 8.57801 12.6058 11.868 numMergedOcc 0
19 mol 186 unq 6 iso 0 dist 4.97005 6.69897 7.60202 10.0516 7.55358 9.72941 10.2673 8.57801 7.21555 13.0608 numMergedOcc 0
20 mol 186 unq 7 iso 0 dist 4.97005 6.69897 7.60202 5.57831 7.60991 5.39885 10.2673 8.57801 7.21555 11.868 numMergedOcc 0
21 mol 194 unq 0 iso 0 dist 8.63008 13.445 6.26839 10.3444 5.52678 6.66155 5.39223 5.53324 10.0756 5.28603 numMergedOcc 0
22 mol 194 unq 1 iso 0 dist 8.63008 13.445 6.26839 10.3444 5.52678 6.66155 11.8568 6.72182 11.8031 9.8803 numMergedOcc 0
23 mol 194 unq 2 iso 0 dist 8.63008 13.445 6.26839 14.1482 9.81666 5.4499 5.39223 5.53324 10.0756 11.0713 numMergedOcc 0
24 mol 194 unq 3 iso 0 dist 8.63008 13.445 6.26839 14.1482 9.81666 5.4499 11.8568 6.72182 11.8031 15.9964 numMergedOcc 0
25 mol 194 unq 4 iso 0 dist 8.63008 15.3582 8.12346 10.3444 5.52678 6.12973 5.39223 5.53324 10.2793 5.28603 numMergedOcc 0
26 mol 194 unq 5 iso 0 dist 8.63008 15.3582 8.12346 10.3444 5.52678 6.12973 11.8568 6.72182 9.09233 9.8803 numMergedOcc 0
27 mol 194 unq 6 iso 0 dist 8.63008 15.3582 8.12346 14.1482 9.81666 11.0239 5.39223 5.53324 10.2793 11.0713 numMergedOcc 0
28 mol 194 unq 7 iso 0 dist 8.63008 15.3582 8.12346 14.1482 9.81666 11.0239 11.8568 6.72182 9.09233 15.9964 numMergedOcc 0
29 mol 194 unq 8 iso 0 dist 8.63008 10.977 8.83356 10.3444 5.52678 13.0333 5.39223 5.53324 10.463 5.28603 numMergedOcc 0
30 mol 194 unq 9 iso 0 dist 8.63008 10.977 8.83356 10.3444 5.52678 13.0333 11.8568 6.72182 4.66791 9.8803 numMergedOcc 0
31 mol 194 unq 10 iso 0 dist 8.63008 10.977 8.83356 14.1482 9.81666 18.6469 5.39223 5.53324 10.463 11.0713 numMergedOcc 0
32 mol 194 unq 11 iso 0 dist 8.63008 10.977 8.83356 14.1482 9.81666 18.6469 11.8568 6.72182 4.66791 15.9964 numMergedOcc 0
33 mol 194 unq 12 iso 0 dist 8.63008 16.6746 8.2654 10.3444 5.52678 10.1796 5.39223 5.53324 12.8494 5.28603 numMergedOcc 0
34 mol 194 unq 13 iso 0 dist 8.63008 16.6746 8.2654 10.3444 5.52678 10.1796 11.8568 6.72182 7.73551 9.8803 numMergedOcc 0
35 mol 194 unq 14 iso 0 dist 8.63008 16.6746 8.2654 14.1482 9.81666 13.5457 5.39223 5.53324 12.8494 11.0713 numMergedOcc 0
36 mol 194 unq 15 iso 0 dist 8.63008 16.6746 8.2654 14.1482 9.81666 13.5457 11.8568 6.72182 7.73551 15.9964 numMergedOcc 0
37 mol 227 unq 0 iso 0 dist 9.33735 15.9389 8.38865 10.8608 9.56257 10.5813 13.5696 5.28771 4.1511 11.2819 numMergedOcc 0
38 mol 227 unq 1 iso 0 dist 9.33735 10.8811 5.4694 10.8608 9.56257 7.22396 13.5696 5.28771 4.69247 11.2819 numMergedOcc 0
39 mol 237 unq 0 iso 0 dist 7.68769 9.81634 7.42587 16.3643 9.84466 13.1083 12.2324 8.7414 6.01528 9.39277 numMergedOcc 0
40 mol 237 unq 1 iso 0 dist 7.68769 9.81634 7.42587 12.532 6.16557 6.23145 12.2324 8.7414 6.01528 5.1975 numMergedOcc 0
41 mol 237 unq 2 iso 0 dist 7.68769 9.81634 7.42587 7.41102 5.4813 7.11441 12.2324 8.7414 6.01528 5.69816 numMergedOcc 0
42 mol 251 unq 0 iso 0 dist 5.0953 5.6933 8.01198 3.92576 8.53757 6.6269 5.04918 6.42747 4.86046 8.08775 numMergedOcc 0
