0 mol 0 unq 0 iso 0 dist 7.19621 8.52471 10.8812 9.95 9.6994 16.7889 6.83587 7.15528 10.4002 7.19817 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.19621 8.52471 10.8812 6.83587 7.15528 10.4002 9.95 9.6994 16.7889 7.19817 numMergedOcc 0
2 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
3 mol 16 unq 0 iso 1 dist 8.33883 5.77753 6.2983 5.45161 6.31718 5.47769 5.38671 5.05803 7.03948 6.92781 numMergedOcc 0
4 mol 73 unq 0 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
5 mol 73 unq 0 iso 1 dist 6.89722 6.4154 7.41074 5.2774 6.19304 4.65521 10.4716 9.96396 8.70133 5.4148 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.89722 6.4154 7.41074 10.4716 9.96396 8.70133 13.9156 8.70481 15.9587 14.9342 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 6.89722 6.4154 7.41074 13.9156 8.70481 15.9587 10.4716 9.96396 8.70133 14.9342 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 6.89722 6.4154 7.41074 5.2774 6.19304 4.65521 13.9156 8.70481 15.9587 13.3558 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 6.89722 6.4154 7.41074 13.9156 8.70481 15.9587 5.2774 6.19304 4.65521 13.3558 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 7.26679 9.67601 15.1106 8.31041 9.96396 12.842 5.44275 6.19304 13.8467 5.4148 numMergedOcc 0
11 mol 73 unq 2 iso 1 dist 7.26679 9.67601 15.1106 5.44275 6.19304 13.8467 8.31041 9.96396 12.842 5.4148 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 7.26679 9.67601 15.1106 8.31041 9.96396 12.842 11.2674 8.70481 13.3917 14.9342 numMergedOcc 0
13 mol 73 unq 3 iso 1 dist 7.26679 9.67601 15.1106 11.2674 8.70481 13.3917 8.31041 9.96396 12.842 14.9342 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 7.26679 9.67601 15.1106 5.44275 6.19304 13.8467 11.2674 8.70481 13.3917 13.3558 numMergedOcc 0
15 mol 73 unq 3 iso 1 dist 7.26679 9.67601 15.1106 11.2674 8.70481 13.3917 5.44275 6.19304 13.8467 13.3558 numMergedOcc 0
16 mol 178 unq 0 iso 0 dist 8.0974 5.20764 5.25267 12.2822 6.69288 10.5498 12.4338 6.43573 11.4139 5.34677 numMergedOcc 0
17 mol 178 unq 0 iso 1 dist 8.0974 5.20764 5.25267 12.4338 6.43573 11.4139 12.2822 6.69288 10.5498 5.34677 numMergedOcc 0
18 mol 178 unq 1 iso 0 dist 8.0974 5.20764 5.25267 12.2822 6.69288 10.5498 13.9722 7.17202 10.2288 11.7381 numMergedOcc 0
19 mol 178 unq 1 iso 1 dist 8.0974 5.20764 5.25267 13.9722 7.17202 10.2288 12.2822 6.69288 10.5498 11.7381 numMergedOcc 0
20 mol 178 unq 2 iso 0 dist 8.0974 5.20764 5.25267 12.2822 6.69288 10.5498 13.5599 8.81551 11.4815 14.0703 numMergedOcc 0
21 mol 178 unq 2 iso 1 dist 8.0974 5.20764 5.25267 13.5599 8.81551 11.4815 12.2822 6.69288 10.5498 14.0703 numMergedOcc 0
22 mol 178 unq 1 iso 0 dist 8.0974 5.20764 5.25267 12.4338 6.43573 11.4139 13.9722 7.17202 10.2288 9.89739 numMergedOcc 0
23 mol 178 unq 1 iso 1 dist 8.0974 5.20764 5.25267 13.9722 7.17202 10.2288 12.4338 6.43573 11.4139 9.89739 numMergedOcc 0
24 mol 178 unq 2 iso 0 dist 8.0974 5.20764 5.25267 12.4338 6.43573 11.4139 13.5599 8.81551 11.4815 10.5529 numMergedOcc 0
25 mol 178 unq 2 iso 1 dist 8.0974 5.20764 5.25267 13.5599 8.81551 11.4815 12.4338 6.43573 11.4139 10.5529 numMergedOcc 0
26 mol 178 unq 2 iso 0 dist 8.0974 5.20764 5.25267 13.9722 7.17202 10.2288 13.5599 8.81551 11.4815 5.18005 numMergedOcc 0
27 mol 178 unq 2 iso 1 dist 8.0974 5.20764 5.25267 13.5599 8.81551 11.4815 13.9722 7.17202 10.2288 5.18005 numMergedOcc 0
28 mol 214 unq 0 iso 0 dist 8.49704 6.35728 6.67959 12.4611 9.65138 10.852 11.832 7.14453 12.6888 9.10746 numMergedOcc 0
29 mol 214 unq 0 iso 1 dist 8.49704 6.35728 6.67959 11.832 7.14453 12.6888 12.4611 9.65138 10.852 9.10746 numMergedOcc 0
30 mol 214 unq 1 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
31 mol 214 unq 1 iso 1 dist 8.49704 6.35728 6.67959 10.644 8.85478 7.46831 12.4611 9.65138 10.852 4.40923 numMergedOcc 0
32 mol 214 unq 1 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
33 mol 214 unq 1 iso 1 dist 8.49704 6.35728 6.67959 10.644 8.85478 7.46831 11.832 7.14453 12.6888 11.3796 numMergedOcc 0
34 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
35 mol 222 unq 0 iso 1 dist 8.7347 5.04916 7.61682 4.28891 7.54212 7.18956 8.81265 6.00706 10.8957 6.8425 numMergedOcc 0
36 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
37 mol 224 unq 0 iso 1 dist 9.33771 6.4508 5.29877 4.91322 6.57273 6.65984 5.41021 8.95269 6.67585 4.70378 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 9.33771 6.4508 5.29877 5.41021 8.95269 6.67585 12.979 5.78342 10.667 11.5372 numMergedOcc 0
39 mol 224 unq 1 iso 1 dist 9.33771 6.4508 5.29877 12.979 5.78342 10.667 5.41021 8.95269 6.67585 11.5372 numMergedOcc 0
40 mol 224 unq 1 iso 0 dist 9.33771 6.4508 5.29877 4.91322 6.57273 6.65984 12.979 5.78342 10.667 8.49799 numMergedOcc 0
41 mol 224 unq 1 iso 1 dist 9.33771 6.4508 5.29877 12.979 5.78342 10.667 4.91322 6.57273 6.65984 8.49799 numMergedOcc 0
42 mol 224 unq 2 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
43 mol 224 unq 2 iso 1 dist 7.39839 6.4508 6.12232 4.91322 6.60589 6.65984 7.65225 6.65832 11.0097 6.77699 numMergedOcc 0
44 mol 224 unq 3 iso 0 dist 7.39839 6.4508 6.12232 7.65225 6.65832 11.0097 12.979 9.16166 10.667 11.328 numMergedOcc 0
45 mol 224 unq 3 iso 1 dist 7.39839 6.4508 6.12232 12.979 9.16166 10.667 7.65225 6.65832 11.0097 11.328 numMergedOcc 0
46 mol 224 unq 3 iso 0 dist 7.39839 6.4508 6.12232 4.91322 6.60589 6.65984 12.979 9.16166 10.667 8.49799 numMergedOcc 0
47 mol 224 unq 3 iso 1 dist 7.39839 6.4508 6.12232 12.979 9.16166 10.667 4.91322 6.60589 6.65984 8.49799 numMergedOcc 0
48 mol 224 unq 4 iso 0 dist 9.79616 8.60781 7.12232 5.63485 6.57273 6.87664 9.36962 6.60589 10.8259 5.0744 numMergedOcc 0
49 mol 224 unq 4 iso 1 dist 9.79616 8.60781 7.12232 9.36962 6.60589 10.8259 5.63485 6.57273 6.87664 5.0744 numMergedOcc 0
50 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
51 mol 227 unq 0 iso 1 dist 9.17826 8.34104 6.43754 14.9329 7.22101 8.17891 16.2594 9.34734 12.4085 6.99063 numMergedOcc 0
52 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
53 mol 227 unq 1 iso 1 dist 9.17826 8.34104 6.43754 13.2783 8.65997 6.95902 16.2594 9.34734 12.4085 7.60506 numMergedOcc 0
54 mol 227 unq 2 iso 0 dist 9.17826 8.34104 6.43754 16.2594 9.34734 12.4085 10.6504 7.56888 11.004 7.43198 numMergedOcc 0
55 mol 227 unq 2 iso 1 dist 9.17826 8.34104 6.43754 10.6504 7.56888 11.004 16.2594 9.34734 12.4085 7.43198 numMergedOcc 0
56 mol 227 unq 3 iso 0 dist 9.17826 8.34104 6.43754 16.2594 9.34734 12.4085 11.4528 7.55216 12.8864 9.51866 numMergedOcc 0
57 mol 227 unq 3 iso 1 dist 9.17826 8.34104 6.43754 11.4528 7.55216 12.8864 16.2594 9.34734 12.4085 9.51866 numMergedOcc 0
58 mol 227 unq 1 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
59 mol 227 unq 1 iso 1 dist 9.17826 8.34104 6.43754 13.2783 8.65997 6.95902 14.9329 7.22101 8.17891 5.22356 numMergedOcc 0
60 mol 227 unq 2 iso 0 dist 9.17826 8.34104 6.43754 14.9329 7.22101 8.17891 10.6504 7.56888 11.004 10.8658 numMergedOcc 0
61 mol 227 unq 2 iso 1 dist 9.17826 8.34104 6.43754 10.6504 7.56888 11.004 14.9329 7.22101 8.17891 10.8658 numMergedOcc 0
62 mol 227 unq 3 iso 0 dist 9.17826 8.34104 6.43754 14.9329 7.22101 8.17891 11.4528 7.55216 12.8864 12.4689 numMergedOcc 0
63 mol 227 unq 3 iso 1 dist 9.17826 8.34104 6.43754 11.4528 7.55216 12.8864 14.9329 7.22101 8.17891 12.4689 numMergedOcc 0
64 mol 227 unq 2 iso 0 dist 9.17826 8.34104 6.43754 13.2783 8.65997 6.95902 10.6504 7.56888 11.004 9.70012 numMergedOcc 0
65 mol 227 unq 2 iso 1 dist 9.17826 8.34104 6.43754 10.6504 7.56888 11.004 13.2783 8.65997 6.95902 9.70012 numMergedOcc 0
66 mol 227 unq 3 iso 0 dist 9.17826 8.34104 6.43754 13.2783 8.65997 6.95902 11.4528 7.55216 12.8864 12.9332 numMergedOcc 0
67 mol 227 unq 3 iso 1 dist 9.17826 8.34104 6.43754 11.4528 7.55216 12.8864 13.2783 8.65997 6.95902 12.9332 numMergedOcc 0
68 mol 227 unq 3 iso 0 dist 9.17826 8.34104 6.43754 10.6504 7.56888 11.004 11.4528 7.55216 12.8864 4.48529 numMergedOcc 0
69 mol 227 unq 3 iso 1 dist 9.17826 8.34104 6.43754 11.4528 7.55216 12.8864 10.6504 7.56888 11.004 4.48529 numMergedOcc 0
70 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
71 mol 274 unq 0 iso 1 dist 9.696 5.12523 6.8406 5.1874 8.49997 7.97444 10.7962 7.56915 11.5594 6.33073 numMergedOcc 0
72 mol 282 unq 0 iso 0 dist 9.63346 5.2527 6.3384 4.85461 8.04483 6.85028 13.108 8.76532 10.4802 10.0156 numMergedOcc 0
73 mol 282 unq 0 iso 1 dist 9.63346 5.2527 6.3384 13.108 8.76532 10.4802 4.85461 8.04483 6.85028 10.0156 numMergedOcc 0
74 mol 282 unq 1 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
75 mol 282 unq 1 iso 1 dist 9.63346 5.2527 6.3384 8.85797 6.33524 7.32347 4.85461 8.04483 6.85028 5.39891 numMergedOcc 0
76 mol 282 unq 1 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
77 mol 282 unq 1 iso 1 dist 9.63346 5.2527 6.3384 8.85797 6.33524 7.32347 13.108 8.76532 10.4802 4.66602 numMergedOcc 0
