0 mol 73 unq 0 iso 0 dist 6.89722 10.4716 9.96396 5.2774 6.19304 5.4148 13.9156 8.70481 14.9342 13.3558 6.4154 7.41074 8.70133 4.65521 15.9587 numMergedOcc 0
1 mol 73 unq 0 iso 1 dist 6.89722 10.4716 9.96396 13.9156 8.70481 14.9342 5.2774 6.19304 5.4148 13.3558 6.4154 7.41074 8.70133 15.9587 4.65521 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 6.89722 5.2774 6.19304 10.4716 9.96396 5.4148 13.9156 8.70481 13.3558 14.9342 6.4154 7.41074 4.65521 8.70133 15.9587 numMergedOcc 0
3 mol 73 unq 1 iso 1 dist 6.89722 5.2774 6.19304 13.9156 8.70481 13.3558 10.4716 9.96396 5.4148 14.9342 6.4154 7.41074 4.65521 15.9587 8.70133 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 7.26679 8.31041 9.96396 5.44275 6.19304 5.4148 11.2674 8.70481 14.9342 13.3558 9.51458 7.41074 8.70133 4.65521 15.9587 numMergedOcc 0
5 mol 73 unq 2 iso 1 dist 7.26679 8.31041 9.96396 11.2674 8.70481 14.9342 5.44275 6.19304 5.4148 13.3558 9.51458 7.41074 8.70133 15.9587 4.65521 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 7.26679 5.44275 6.19304 8.31041 9.96396 5.4148 11.2674 8.70481 13.3558 14.9342 9.51458 7.41074 4.65521 8.70133 15.9587 numMergedOcc 0
7 mol 73 unq 3 iso 1 dist 7.26679 5.44275 6.19304 11.2674 8.70481 13.3558 8.31041 9.96396 5.4148 14.9342 9.51458 7.41074 4.65521 15.9587 8.70133 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 9.85576 10.4589 7.90328 14.2649 7.83136 7.22206 9.53886 7.0603 9.3584 7.21564 12.907 4.91401 6.62561 7.63616 10.6107 numMergedOcc 0
9 mol 117 unq 0 iso 1 dist 9.85576 10.4589 7.90328 9.53886 7.0603 9.3584 14.2649 7.83136 7.22206 7.21564 12.907 4.91401 6.62561 10.6107 7.63616 numMergedOcc 0
10 mol 117 unq 1 iso 0 dist 9.85576 14.2649 7.83136 10.4589 7.90328 7.22206 9.53886 7.0603 7.21564 9.3584 12.907 4.91401 7.63616 6.62561 10.6107 numMergedOcc 0
11 mol 117 unq 1 iso 1 dist 9.85576 14.2649 7.83136 9.53886 7.0603 7.21564 10.4589 7.90328 7.22206 9.3584 12.907 4.91401 7.63616 10.6107 6.62561 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 7.30021 5.0966 7.44554 5.75141 8.94056 5.56175 12.865 9.83699 8.38403 11.2719 11.6317 6.29785 9.36805 13.1853 7.55203 numMergedOcc 0
13 mol 156 unq 0 iso 1 dist 7.30021 5.0966 7.44554 12.865 9.83699 8.38403 5.75141 8.94056 5.56175 11.2719 11.6317 6.29785 9.36805 7.55203 13.1853 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 7.30021 12.865 9.83699 5.0966 7.44554 8.38403 5.75141 8.94056 11.2719 5.56175 11.6317 6.29785 7.55203 9.36805 13.1853 numMergedOcc 0
15 mol 156 unq 1 iso 1 dist 7.30021 12.865 9.83699 5.75141 8.94056 11.2719 5.0966 7.44554 8.38403 5.56175 11.6317 6.29785 7.55203 13.1853 9.36805 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 8.69888 11.5099 9.0018 5.50014 5.6234 6.2715 7.39186 6.57069 8.16421 5.35493 17.6319 11.0415 9.31887 12.816 11.3137 numMergedOcc 0
17 mol 175 unq 0 iso 1 dist 8.69888 11.5099 9.0018 7.39186 6.57069 8.16421 5.50014 5.6234 6.2715 5.35493 17.6319 11.0415 9.31887 11.3137 12.816 numMergedOcc 0
18 mol 175 unq 1 iso 0 dist 8.69888 5.50014 5.6234 11.5099 9.0018 6.2715 7.39186 6.57069 5.35493 8.16421 12.616 5.28109 9.0664 10.689 11.5506 numMergedOcc 0
19 mol 175 unq 1 iso 1 dist 8.69888 5.50014 5.6234 7.39186 6.57069 5.35493 11.5099 9.0018 6.2715 8.16421 12.616 5.28109 9.0664 11.5506 10.689 numMergedOcc 0
20 mol 175 unq 2 iso 0 dist 5.08206 12.1783 9.0018 7.28617 5.6234 6.2715 5.77256 6.57069 8.16421 5.35493 14.1664 11.0415 9.31887 12.816 11.3137 numMergedOcc 0
21 mol 175 unq 2 iso 1 dist 5.08206 12.1783 9.0018 5.77256 6.57069 8.16421 7.28617 5.6234 6.2715 5.35493 14.1664 11.0415 9.31887 11.3137 12.816 numMergedOcc 0
22 mol 175 unq 3 iso 0 dist 5.08206 7.28617 5.6234 12.1783 9.0018 6.2715 5.77256 6.57069 5.35493 8.16421 9.95921 5.28109 9.0664 10.689 11.5506 numMergedOcc 0
23 mol 175 unq 3 iso 1 dist 5.08206 7.28617 5.6234 5.77256 6.57069 5.35493 12.1783 9.0018 6.2715 8.16421 9.95921 5.28109 9.0664 11.5506 10.689 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 8.49704 10.644 8.85478 12.4611 9.65138 4.40923 11.832 7.14453 11.3796 9.10746 6.35728 6.67959 7.46831 10.852 12.6888 numMergedOcc 0
25 mol 214 unq 0 iso 1 dist 8.49704 10.644 8.85478 11.832 7.14453 11.3796 12.4611 9.65138 4.40923 9.10746 6.35728 6.67959 7.46831 12.6888 10.852 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 9.33771 5.41021 8.95269 4.91322 6.57273 4.70378 12.979 5.78342 11.5372 8.49799 10.8214 9.36098 7.06793 10.0414 12.7072 numMergedOcc 0
27 mol 224 unq 0 iso 1 dist 9.33771 5.41021 8.95269 12.979 5.78342 11.5372 4.91322 6.57273 4.70378 8.49799 10.8214 9.36098 7.06793 12.7072 10.0414 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 9.33771 5.41021 8.95269 4.91322 6.57273 4.70378 12.979 5.78342 11.5372 8.49799 6.4508 5.29877 6.67585 6.65984 10.667 numMergedOcc 0
29 mol 224 unq 1 iso 1 dist 9.33771 5.41021 8.95269 12.979 5.78342 11.5372 4.91322 6.57273 4.70378 8.49799 6.4508 5.29877 6.67585 10.667 6.65984 numMergedOcc 0
30 mol 224 unq 2 iso 0 dist 9.33771 4.91322 6.57273 5.41021 8.95269 4.70378 12.979 5.78342 8.49799 11.5372 6.4508 5.29877 6.65984 6.67585 10.667 numMergedOcc 0
31 mol 224 unq 2 iso 1 dist 9.33771 4.91322 6.57273 12.979 5.78342 8.49799 5.41021 8.95269 4.70378 11.5372 6.4508 5.29877 6.65984 10.667 6.67585 numMergedOcc 0
32 mol 224 unq 3 iso 0 dist 7.39839 4.91322 6.60589 7.65225 6.65832 6.77699 12.979 9.16166 8.49799 11.328 6.4508 6.12232 6.65984 11.0097 10.667 numMergedOcc 0
33 mol 224 unq 3 iso 1 dist 7.39839 4.91322 6.60589 12.979 9.16166 8.49799 7.65225 6.65832 6.77699 11.328 6.4508 6.12232 6.65984 10.667 11.0097 numMergedOcc 0
34 mol 224 unq 4 iso 0 dist 9.29703 4.8786 5.78342 7.18448 9.16166 5.0744 6.38066 5.81334 5.60236 6.91102 11.0076 5.3621 6.87664 10.8259 10.2775 numMergedOcc 0
35 mol 224 unq 4 iso 1 dist 9.29703 4.8786 5.78342 6.38066 5.81334 5.60236 7.18448 9.16166 5.0744 6.91102 11.0076 5.3621 6.87664 10.2775 10.8259 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 9.17826 14.9329 7.22101 16.2594 9.34734 6.99063 13.2783 8.65997 5.22356 7.60506 8.34104 6.43754 8.17891 12.4085 6.95902 numMergedOcc 0
37 mol 227 unq 0 iso 1 dist 9.17826 14.9329 7.22101 13.2783 8.65997 5.22356 16.2594 9.34734 6.99063 7.60506 8.34104 6.43754 8.17891 6.95902 12.4085 numMergedOcc 0
38 mol 227 unq 1 iso 0 dist 9.17826 14.9329 7.22101 16.2594 9.34734 6.99063 10.6504 7.56888 10.8658 7.43198 8.34104 6.43754 8.17891 12.4085 11.004 numMergedOcc 0
39 mol 227 unq 1 iso 1 dist 9.17826 14.9329 7.22101 10.6504 7.56888 10.8658 16.2594 9.34734 6.99063 7.43198 8.34104 6.43754 8.17891 11.004 12.4085 numMergedOcc 0
40 mol 227 unq 2 iso 0 dist 9.17826 14.9329 7.22101 16.2594 9.34734 6.99063 11.4528 7.55216 12.4689 9.51866 8.34104 6.43754 8.17891 12.4085 12.8864 numMergedOcc 0
41 mol 227 unq 2 iso 1 dist 9.17826 14.9329 7.22101 11.4528 7.55216 12.4689 16.2594 9.34734 6.99063 9.51866 8.34104 6.43754 8.17891 12.8864 12.4085 numMergedOcc 0
42 mol 227 unq 1 iso 0 dist 9.17826 14.9329 7.22101 13.2783 8.65997 5.22356 10.6504 7.56888 10.8658 9.70012 8.34104 6.43754 8.17891 6.95902 11.004 numMergedOcc 0
43 mol 227 unq 1 iso 1 dist 9.17826 14.9329 7.22101 10.6504 7.56888 10.8658 13.2783 8.65997 5.22356 9.70012 8.34104 6.43754 8.17891 11.004 6.95902 numMergedOcc 0
44 mol 227 unq 2 iso 0 dist 9.17826 14.9329 7.22101 13.2783 8.65997 5.22356 11.4528 7.55216 12.4689 12.9332 8.34104 6.43754 8.17891 6.95902 12.8864 numMergedOcc 0
45 mol 227 unq 2 iso 1 dist 9.17826 14.9329 7.22101 11.4528 7.55216 12.4689 13.2783 8.65997 5.22356 12.9332 8.34104 6.43754 8.17891 12.8864 6.95902 numMergedOcc 0
46 mol 227 unq 2 iso 0 dist 9.17826 14.9329 7.22101 10.6504 7.56888 10.8658 11.4528 7.55216 12.4689 4.48529 8.34104 6.43754 8.17891 11.004 12.8864 numMergedOcc 0
47 mol 227 unq 2 iso 1 dist 9.17826 14.9329 7.22101 11.4528 7.55216 12.4689 10.6504 7.56888 10.8658 4.48529 8.34104 6.43754 8.17891 12.8864 11.004 numMergedOcc 0
48 mol 227 unq 3 iso 0 dist 9.17826 13.2783 8.65997 16.2594 9.34734 7.60506 14.9329 7.22101 5.22356 6.99063 13.6158 14.6185 9.62609 17.0949 13.4493 numMergedOcc 0
49 mol 227 unq 3 iso 1 dist 9.17826 13.2783 8.65997 14.9329 7.22101 5.22356 16.2594 9.34734 7.60506 6.99063 13.6158 14.6185 9.62609 13.4493 17.0949 numMergedOcc 0
50 mol 227 unq 4 iso 0 dist 9.17826 13.2783 8.65997 16.2594 9.34734 7.60506 14.9329 7.22101 5.22356 6.99063 8.34104 6.43754 6.95902 12.4085 8.17891 numMergedOcc 0
51 mol 227 unq 4 iso 1 dist 9.17826 13.2783 8.65997 14.9329 7.22101 5.22356 16.2594 9.34734 7.60506 6.99063 8.34104 6.43754 6.95902 8.17891 12.4085 numMergedOcc 0
52 mol 227 unq 5 iso 0 dist 9.17826 13.2783 8.65997 16.2594 9.34734 7.60506 10.6504 7.56888 9.70012 7.43198 13.6158 14.6185 9.62609 17.0949 16.5207 numMergedOcc 0
53 mol 227 unq 5 iso 1 dist 9.17826 13.2783 8.65997 10.6504 7.56888 9.70012 16.2594 9.34734 7.60506 7.43198 13.6158 14.6185 9.62609 16.5207 17.0949 numMergedOcc 0
54 mol 227 unq 6 iso 0 dist 9.17826 13.2783 8.65997 16.2594 9.34734 7.60506 10.6504 7.56888 9.70012 7.43198 8.34104 6.43754 6.95902 12.4085 11.004 numMergedOcc 0
55 mol 227 unq 6 iso 1 dist 9.17826 13.2783 8.65997 10.6504 7.56888 9.70012 16.2594 9.34734 7.60506 7.43198 8.34104 6.43754 6.95902 11.004 12.4085 numMergedOcc 0
56 mol 227 unq 7 iso 0 dist 9.17826 13.2783 8.65997 16.2594 9.34734 7.60506 11.4528 7.55216 12.9332 9.51866 13.6158 14.6185 9.62609 17.0949 19.8174 numMergedOcc 0
57 mol 227 unq 7 iso 1 dist 9.17826 13.2783 8.65997 11.4528 7.55216 12.9332 16.2594 9.34734 7.60506 9.51866 13.6158 14.6185 9.62609 19.8174 17.0949 numMergedOcc 0
58 mol 227 unq 8 iso 0 dist 9.17826 13.2783 8.65997 16.2594 9.34734 7.60506 11.4528 7.55216 12.9332 9.51866 8.34104 6.43754 6.95902 12.4085 12.8864 numMergedOcc 0
59 mol 227 unq 8 iso 1 dist 9.17826 13.2783 8.65997 11.4528 7.55216 12.9332 16.2594 9.34734 7.60506 9.51866 8.34104 6.43754 6.95902 12.8864 12.4085 numMergedOcc 0
60 mol 227 unq 5 iso 0 dist 9.17826 13.2783 8.65997 14.9329 7.22101 5.22356 10.6504 7.56888 9.70012 10.8658 13.6158 14.6185 9.62609 13.4493 16.5207 numMergedOcc 0
61 mol 227 unq 5 iso 1 dist 9.17826 13.2783 8.65997 10.6504 7.56888 9.70012 14.9329 7.22101 5.22356 10.8658 13.6158 14.6185 9.62609 16.5207 13.4493 numMergedOcc 0
62 mol 227 unq 6 iso 0 dist 9.17826 13.2783 8.65997 14.9329 7.22101 5.22356 10.6504 7.56888 9.70012 10.8658 8.34104 6.43754 6.95902 8.17891 11.004 numMergedOcc 0
63 mol 227 unq 6 iso 1 dist 9.17826 13.2783 8.65997 10.6504 7.56888 9.70012 14.9329 7.22101 5.22356 10.8658 8.34104 6.43754 6.95902 11.004 8.17891 numMergedOcc 0
64 mol 227 unq 7 iso 0 dist 9.17826 13.2783 8.65997 14.9329 7.22101 5.22356 11.4528 7.55216 12.9332 12.4689 13.6158 14.6185 9.62609 13.4493 19.8174 numMergedOcc 0
65 mol 227 unq 7 iso 1 dist 9.17826 13.2783 8.65997 11.4528 7.55216 12.9332 14.9329 7.22101 5.22356 12.4689 13.6158 14.6185 9.62609 19.8174 13.4493 numMergedOcc 0
66 mol 227 unq 8 iso 0 dist 9.17826 13.2783 8.65997 14.9329 7.22101 5.22356 11.4528 7.55216 12.9332 12.4689 8.34104 6.43754 6.95902 8.17891 12.8864 numMergedOcc 0
67 mol 227 unq 8 iso 1 dist 9.17826 13.2783 8.65997 11.4528 7.55216 12.9332 14.9329 7.22101 5.22356 12.4689 8.34104 6.43754 6.95902 12.8864 8.17891 numMergedOcc 0
68 mol 227 unq 7 iso 0 dist 9.17826 13.2783 8.65997 10.6504 7.56888 9.70012 11.4528 7.55216 12.9332 4.48529 13.6158 14.6185 9.62609 16.5207 19.8174 numMergedOcc 0
69 mol 227 unq 7 iso 1 dist 9.17826 13.2783 8.65997 11.4528 7.55216 12.9332 10.6504 7.56888 9.70012 4.48529 13.6158 14.6185 9.62609 19.8174 16.5207 numMergedOcc 0
70 mol 227 unq 8 iso 0 dist 9.17826 13.2783 8.65997 10.6504 7.56888 9.70012 11.4528 7.55216 12.9332 4.48529 8.34104 6.43754 6.95902 11.004 12.8864 numMergedOcc 0
71 mol 227 unq 8 iso 1 dist 9.17826 13.2783 8.65997 11.4528 7.55216 12.9332 10.6504 7.56888 9.70012 4.48529 8.34104 6.43754 6.95902 12.8864 11.004 numMergedOcc 0
72 mol 227 unq 9 iso 0 dist 9.17826 11.4528 7.55216 16.2594 9.34734 9.51866 14.9329 7.22101 12.4689 6.99063 17.5201 11.662 8.83563 14.4583 15.9414 numMergedOcc 0
73 mol 227 unq 9 iso 1 dist 9.17826 11.4528 7.55216 14.9329 7.22101 12.4689 16.2594 9.34734 9.51866 6.99063 17.5201 11.662 8.83563 15.9414 14.4583 numMergedOcc 0
74 mol 227 unq 10 iso 0 dist 9.17826 11.4528 7.55216 16.2594 9.34734 9.51866 13.2783 8.65997 12.9332 7.60506 17.5201 11.662 8.83563 14.4583 18.8667 numMergedOcc 0
75 mol 227 unq 10 iso 1 dist 9.17826 11.4528 7.55216 13.2783 8.65997 12.9332 16.2594 9.34734 9.51866 7.60506 17.5201 11.662 8.83563 18.8667 14.4583 numMergedOcc 0
76 mol 227 unq 11 iso 0 dist 9.17826 11.4528 7.55216 16.2594 9.34734 9.51866 10.6504 7.56888 4.48529 7.43198 17.5201 11.662 8.83563 14.4583 12.9801 numMergedOcc 0
77 mol 227 unq 11 iso 1 dist 9.17826 11.4528 7.55216 10.6504 7.56888 4.48529 16.2594 9.34734 9.51866 7.43198 17.5201 11.662 8.83563 12.9801 14.4583 numMergedOcc 0
78 mol 227 unq 10 iso 0 dist 9.17826 11.4528 7.55216 14.9329 7.22101 12.4689 13.2783 8.65997 12.9332 5.22356 17.5201 11.662 8.83563 15.9414 18.8667 numMergedOcc 0
79 mol 227 unq 10 iso 1 dist 9.17826 11.4528 7.55216 13.2783 8.65997 12.9332 14.9329 7.22101 12.4689 5.22356 17.5201 11.662 8.83563 18.8667 15.9414 numMergedOcc 0
80 mol 227 unq 11 iso 0 dist 9.17826 11.4528 7.55216 14.9329 7.22101 12.4689 10.6504 7.56888 4.48529 10.8658 17.5201 11.662 8.83563 15.9414 12.9801 numMergedOcc 0
81 mol 227 unq 11 iso 1 dist 9.17826 11.4528 7.55216 10.6504 7.56888 4.48529 14.9329 7.22101 12.4689 10.8658 17.5201 11.662 8.83563 12.9801 15.9414 numMergedOcc 0
82 mol 227 unq 11 iso 0 dist 9.17826 11.4528 7.55216 13.2783 8.65997 12.9332 10.6504 7.56888 4.48529 9.70012 17.5201 11.662 8.83563 18.8667 12.9801 numMergedOcc 0
83 mol 227 unq 11 iso 1 dist 9.17826 11.4528 7.55216 10.6504 7.56888 4.48529 13.2783 8.65997 12.9332 9.70012 17.5201 11.662 8.83563 12.9801 18.8667 numMergedOcc 0
84 mol 248 unq 0 iso 0 dist 8.71859 4.53213 7.69895 6.33032 7.21521 5.55137 11.762 8.2965 10.8081 5.86196 12.7138 10.1857 8.50864 11.9152 14.4409 numMergedOcc 0
85 mol 248 unq 0 iso 1 dist 8.71859 4.53213 7.69895 11.762 8.2965 10.8081 6.33032 7.21521 5.55137 5.86196 12.7138 10.1857 8.50864 14.4409 11.9152 numMergedOcc 0
86 mol 252 unq 0 iso 0 dist 9.73021 16.5881 8.33025 12.5855 9.2288 8.41807 5.26867 7.19638 14.9102 11.7918 13.899 9.37715 7.66365 10.165 14.7097 numMergedOcc 0
87 mol 252 unq 0 iso 1 dist 9.73021 16.5881 8.33025 5.26867 7.19638 14.9102 12.5855 9.2288 8.41807 11.7918 13.899 9.37715 7.66365 14.7097 10.165 numMergedOcc 0
88 mol 282 unq 0 iso 0 dist 5.67266 9.63727 8.04483 4.58403 8.76532 10.0156 5.04235 6.33524 5.39891 4.66602 10.0733 6.3384 6.85028 10.4802 7.32347 numMergedOcc 0
89 mol 282 unq 0 iso 1 dist 5.67266 9.63727 8.04483 5.04235 6.33524 5.39891 4.58403 8.76532 10.0156 4.66602 10.0733 6.3384 6.85028 7.32347 10.4802 numMergedOcc 0
90 mol 282 unq 1 iso 0 dist 5.67266 5.04235 6.33524 9.63727 8.04483 5.39891 4.58403 8.76532 4.66602 10.0156 10.0733 6.3384 7.32347 6.85028 10.4802 numMergedOcc 0
91 mol 282 unq 1 iso 1 dist 5.67266 5.04235 6.33524 4.58403 8.76532 4.66602 9.63727 8.04483 5.39891 10.0156 10.0733 6.3384 7.32347 10.4802 6.85028 numMergedOcc 0
92 mol 282 unq 2 iso 0 dist 5.80981 9.60898 8.04483 10.5698 8.76532 10.0156 8.37652 6.33524 5.39891 4.66602 11.4393 6.3384 6.85028 10.4802 7.32347 numMergedOcc 0
93 mol 282 unq 2 iso 1 dist 5.80981 9.60898 8.04483 8.37652 6.33524 5.39891 10.5698 8.76532 10.0156 4.66602 11.4393 6.3384 6.85028 7.32347 10.4802 numMergedOcc 0
94 mol 282 unq 3 iso 0 dist 5.80981 8.37652 6.33524 9.60898 8.04483 5.39891 10.5698 8.76532 4.66602 10.0156 11.4393 6.3384 7.32347 6.85028 10.4802 numMergedOcc 0
95 mol 282 unq 3 iso 1 dist 5.80981 8.37652 6.33524 10.5698 8.76532 4.66602 9.60898 8.04483 5.39891 10.0156 11.4393 6.3384 7.32347 10.4802 6.85028 numMergedOcc 0
96 mol 282 unq 4 iso 0 dist 9.63346 4.85461 8.04483 13.108 8.76532 10.0156 8.85797 6.33524 5.39891 4.66602 5.2527 6.3384 6.85028 10.4802 7.32347 numMergedOcc 0
97 mol 282 unq 4 iso 1 dist 9.63346 4.85461 8.04483 8.85797 6.33524 5.39891 13.108 8.76532 10.0156 4.66602 5.2527 6.3384 6.85028 7.32347 10.4802 numMergedOcc 0
98 mol 282 unq 5 iso 0 dist 9.63346 8.85797 6.33524 4.85461 8.04483 5.39891 13.108 8.76532 4.66602 10.0156 5.2527 6.3384 7.32347 6.85028 10.4802 numMergedOcc 0
99 mol 282 unq 5 iso 1 dist 9.63346 8.85797 6.33524 13.108 8.76532 4.66602 4.85461 8.04483 5.39891 10.0156 5.2527 6.3384 7.32347 10.4802 6.85028 numMergedOcc 0
