0 mol 16 unq 0 iso 0 dist 8.33883 5.77753 6.2983 5.38671 5.05803 7.03948 5.45161 6.31718 5.47769 6.92781 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.33883 5.77753 6.2983 5.38671 5.05803 7.03948 6.43294 10.9143 6.58035 10.7015 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.33883 5.77753 6.2983 5.45161 6.31718 5.47769 5.38671 5.05803 7.03948 6.92781 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 8.33883 5.77753 6.2983 5.45161 6.31718 5.47769 6.43294 10.9143 6.58035 5.32694 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.89722 6.4154 7.41074 10.4716 9.96396 8.70133 8.04817 11.4799 5.64598 7.4697 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.89722 6.4154 7.41074 10.4716 9.96396 8.70133 5.2774 6.19304 4.65521 5.4148 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 6.89722 6.4154 7.41074 5.2774 6.19304 4.65521 10.4716 9.96396 8.70133 5.4148 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 6.89722 6.4154 7.41074 5.2774 6.19304 4.65521 8.04817 11.4799 5.64598 5.7113 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 6.89722 6.4154 7.41074 13.9156 8.70481 15.9587 10.4716 9.96396 8.70133 14.9342 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 6.89722 6.4154 7.41074 13.9156 8.70481 15.9587 8.04817 11.4799 5.64598 19.0652 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 6.89722 6.4154 7.41074 13.9156 8.70481 15.9587 5.2774 6.19304 4.65521 13.3558 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 6.86946 5.52706 5.60178 5.889 4.99221 6.50039 6.98664 11.8322 6.87861 10.4294 numMergedOcc 0
12 mol 127 unq 0 iso 0 dist 8.40046 8.03243 14.085 9.75166 9.30299 8.59981 12.3873 17.6472 6.192 11.279 numMergedOcc 0
13 mol 127 unq 1 iso 0 dist 8.40046 8.03243 14.085 9.75166 9.30299 8.59981 9.8591 15.0647 7.69308 11.4958 numMergedOcc 0
14 mol 127 unq 2 iso 0 dist 8.40046 8.03243 14.085 9.75166 9.30299 8.59981 12.9471 14.7391 7.66331 5.55757 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 8.49704 6.35728 6.67959 12.4611 9.65138 10.852 10.644 8.85478 7.46831 4.40923 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 8.49704 6.35728 6.67959 12.4611 9.65138 10.852 4.82712 11.9355 8.60247 12.1198 numMergedOcc 0
17 mol 214 unq 2 iso 0 dist 8.49704 6.35728 6.67959 11.832 7.14453 12.6888 10.644 8.85478 7.46831 11.3796 numMergedOcc 0
18 mol 214 unq 3 iso 0 dist 8.49704 6.35728 6.67959 11.832 7.14453 12.6888 4.82712 11.9355 8.60247 14.0682 numMergedOcc 0
19 mol 214 unq 4 iso 0 dist 8.49704 6.35728 6.67959 10.644 8.85478 7.46831 4.82712 11.9355 8.60247 10.3105 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 8.7347 5.04916 7.61682 8.81265 6.00706 10.8957 4.28891 7.54212 7.18956 6.8425 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 9.33771 6.4508 5.29877 5.41021 8.95269 6.67585 4.91322 6.57273 6.65984 4.70378 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 9.33771 6.4508 5.29877 4.91322 6.57273 6.65984 5.41021 8.95269 6.67585 4.70378 numMergedOcc 0
23 mol 224 unq 2 iso 0 dist 9.33771 6.4508 5.29877 12.979 5.78342 10.667 5.41021 8.95269 6.67585 11.5372 numMergedOcc 0
24 mol 224 unq 3 iso 0 dist 9.33771 6.4508 5.29877 12.979 5.78342 10.667 4.91322 6.57273 6.65984 8.49799 numMergedOcc 0
25 mol 224 unq 4 iso 0 dist 7.39839 6.4508 6.12232 7.65225 6.65832 11.0097 5.41021 9.99123 6.67585 10.9861 numMergedOcc 0
26 mol 224 unq 5 iso 0 dist 7.39839 6.4508 6.12232 7.65225 6.65832 11.0097 4.91322 6.60589 6.65984 6.77699 numMergedOcc 0
27 mol 224 unq 6 iso 0 dist 7.39839 6.4508 6.12232 4.91322 6.60589 6.65984 5.41021 9.99123 6.67585 4.70378 numMergedOcc 0
28 mol 224 unq 7 iso 0 dist 7.39839 6.4508 6.12232 12.979 9.16166 10.667 5.41021 9.99123 6.67585 11.5372 numMergedOcc 0
29 mol 224 unq 8 iso 0 dist 7.39839 6.4508 6.12232 12.979 9.16166 10.667 4.91322 6.60589 6.65984 8.49799 numMergedOcc 0
30 mol 224 unq 9 iso 0 dist 9.79616 8.60781 7.12232 9.36962 6.60589 10.8259 5.63485 6.57273 6.87664 5.0744 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 9.17826 8.34104 6.43754 16.2594 9.34734 12.4085 14.9329 7.22101 8.17891 6.99063 numMergedOcc 0
32 mol 227 unq 1 iso 0 dist 9.17826 8.34104 6.43754 16.2594 9.34734 12.4085 13.2783 8.65997 6.95902 7.60506 numMergedOcc 0
33 mol 227 unq 2 iso 0 dist 9.17826 8.34104 6.43754 14.9329 7.22101 8.17891 13.2783 8.65997 6.95902 5.22356 numMergedOcc 0
34 mol 227 unq 3 iso 0 dist 9.17826 8.34104 6.43754 13.2783 8.65997 6.95902 14.9329 7.22101 8.17891 5.22356 numMergedOcc 0
35 mol 227 unq 4 iso 0 dist 9.17826 8.34104 6.43754 10.6504 7.56888 11.004 14.9329 7.22101 8.17891 10.8658 numMergedOcc 0
36 mol 227 unq 5 iso 0 dist 9.17826 8.34104 6.43754 10.6504 7.56888 11.004 13.2783 8.65997 6.95902 9.70012 numMergedOcc 0
37 mol 227 unq 6 iso 0 dist 9.17826 8.34104 6.43754 11.4528 7.55216 12.8864 14.9329 7.22101 8.17891 12.4689 numMergedOcc 0
38 mol 227 unq 7 iso 0 dist 9.17826 8.34104 6.43754 11.4528 7.55216 12.8864 13.2783 8.65997 6.95902 12.9332 numMergedOcc 0
39 mol 274 unq 0 iso 0 dist 9.696 5.12523 6.8406 10.7962 7.56915 11.5594 5.1874 8.49997 7.97444 6.33073 numMergedOcc 0
40 mol 282 unq 0 iso 0 dist 9.63346 5.2527 6.3384 4.85461 8.04483 6.85028 8.85797 6.33524 7.32347 5.39891 numMergedOcc 0
41 mol 282 unq 1 iso 0 dist 9.63346 5.2527 6.3384 4.85461 8.04483 6.85028 5.43514 13.5481 8.3411 7.76539 numMergedOcc 0
42 mol 282 unq 2 iso 0 dist 9.63346 5.2527 6.3384 13.108 8.76532 10.4802 4.85461 8.04483 6.85028 10.0156 numMergedOcc 0
43 mol 282 unq 3 iso 0 dist 9.63346 5.2527 6.3384 13.108 8.76532 10.4802 8.85797 6.33524 7.32347 4.66602 numMergedOcc 0
44 mol 282 unq 4 iso 0 dist 9.63346 5.2527 6.3384 13.108 8.76532 10.4802 5.43514 13.5481 8.3411 13.8266 numMergedOcc 0
45 mol 282 unq 5 iso 0 dist 9.63346 5.2527 6.3384 8.85797 6.33524 7.32347 4.85461 8.04483 6.85028 5.39891 numMergedOcc 0
46 mol 282 unq 6 iso 0 dist 9.63346 5.2527 6.3384 8.85797 6.33524 7.32347 5.43514 13.5481 8.3411 10.5372 numMergedOcc 0
