0 mol 58 unq 0 iso 0 dist 6.81627 5.38524 5.61579 5.79773 11.715 8.66539 5.47421 7.32874 8.69057 10.8779 9.37804 14.2075 9.02642 6.49081 14.0374 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 6.81627 5.38524 5.61579 5.47421 7.32874 8.69057 5.79773 11.715 8.66539 10.8779 9.37804 14.2075 9.02642 14.0374 6.49081 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.32874 8.69057 5.61579 10.8779 11.715 8.66539 5.47421 6.81627 5.38524 5.79773 14.0374 14.2075 9.02642 6.49081 9.37804 numMergedOcc 0
3 mol 58 unq 1 iso 1 dist 7.32874 8.69057 5.61579 5.47421 6.81627 5.38524 10.8779 11.715 8.66539 5.79773 14.0374 14.2075 9.02642 9.37804 6.49081 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 6.65595 7.57295 7.80499 5.67502 11.1899 8.4312 6.54743 8.90863 7.48086 5.00018 9.49968 12.1928 6.63448 5.94827 5.32257 numMergedOcc 0
5 mol 60 unq 0 iso 1 dist 6.65595 7.57295 7.80499 6.54743 8.90863 7.48086 5.67502 11.1899 8.4312 5.00018 9.49968 12.1928 6.63448 5.32257 5.94827 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 8.90863 7.48086 7.80499 6.54743 6.65595 7.57295 5.00018 11.1899 8.4312 5.67502 5.32257 12.1928 6.63448 9.49968 5.94827 numMergedOcc 0
7 mol 60 unq 1 iso 1 dist 8.90863 7.48086 7.80499 5.00018 11.1899 8.4312 6.54743 6.65595 7.57295 5.67502 5.32257 12.1928 6.63448 5.94827 9.49968 numMergedOcc 0
8 mol 60 unq 2 iso 0 dist 9.25011 7.57295 5.6397 5.67502 12.4656 8.4312 6.54743 10.0828 7.48086 5.00018 9.49968 11.3973 6.63448 5.94827 5.32257 numMergedOcc 0
9 mol 60 unq 2 iso 1 dist 9.25011 7.57295 5.6397 6.54743 10.0828 7.48086 5.67502 12.4656 8.4312 5.00018 9.49968 11.3973 6.63448 5.32257 5.94827 numMergedOcc 0
10 mol 60 unq 3 iso 0 dist 6.43294 7.57295 8.62476 5.67502 8.7531 8.4312 6.54743 11.5843 7.48086 5.00018 9.49968 11.816 6.63448 5.94827 5.32257 numMergedOcc 0
11 mol 60 unq 3 iso 1 dist 6.43294 7.57295 8.62476 6.54743 11.5843 7.48086 5.67502 8.7531 8.4312 5.00018 9.49968 11.816 6.63448 5.32257 5.94827 numMergedOcc 0
12 mol 60 unq 4 iso 0 dist 8.7531 8.4312 8.62476 5.67502 6.43294 7.57295 5.00018 11.5843 7.48086 6.54743 5.94827 11.816 6.63448 9.49968 5.32257 numMergedOcc 0
13 mol 60 unq 4 iso 1 dist 8.7531 8.4312 8.62476 5.00018 11.5843 7.48086 5.67502 6.43294 7.57295 6.54743 5.94827 11.816 6.63448 5.32257 9.49968 numMergedOcc 0
14 mol 60 unq 5 iso 0 dist 8.52121 7.57295 6.55502 5.67502 11.6311 8.4312 6.54743 12.4757 7.48086 5.00018 9.49968 12.3484 6.63448 5.94827 5.32257 numMergedOcc 0
15 mol 60 unq 5 iso 1 dist 8.52121 7.57295 6.55502 6.54743 12.4757 7.48086 5.67502 11.6311 8.4312 5.00018 9.49968 12.3484 6.63448 5.32257 5.94827 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 9.51923 6.48948 5.92242 8.40073 6.10456 5.2571 9.42358 7.94178 11.3043 9.84703 15.7178 9.85543 numMergedOcc 0
17 mol 98 unq 0 iso 1 dist 5.08437 5.10496 3.9764 8.40073 6.10456 5.2571 9.51923 6.48948 5.92242 9.42358 7.94178 11.3043 9.84703 9.85543 15.7178 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 5.08437 5.10496 3.9764 9.51923 6.48948 5.92242 8.40073 6.10456 5.2571 9.42358 4.4057 6.65501 4.62494 7.42446 9.67482 numMergedOcc 0
19 mol 98 unq 1 iso 1 dist 5.08437 5.10496 3.9764 8.40073 6.10456 5.2571 9.51923 6.48948 5.92242 9.42358 4.4057 6.65501 4.62494 9.67482 7.42446 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 5.08437 5.10496 3.9764 9.51923 6.48948 5.92242 10.2427 10.1136 8.7497 13.9786 7.94178 11.3043 9.84703 15.7178 7.28361 numMergedOcc 0
21 mol 98 unq 2 iso 1 dist 5.08437 5.10496 3.9764 10.2427 10.1136 8.7497 9.51923 6.48948 5.92242 13.9786 7.94178 11.3043 9.84703 7.28361 15.7178 numMergedOcc 0
22 mol 98 unq 3 iso 0 dist 5.08437 5.10496 3.9764 9.51923 6.48948 5.92242 10.2427 10.1136 8.7497 13.9786 4.4057 6.65501 4.62494 7.42446 12.0974 numMergedOcc 0
23 mol 98 unq 3 iso 1 dist 5.08437 5.10496 3.9764 10.2427 10.1136 8.7497 9.51923 6.48948 5.92242 13.9786 4.4057 6.65501 4.62494 12.0974 7.42446 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 5.08437 5.10496 3.9764 8.40073 6.10456 5.2571 10.2427 10.1136 8.7497 5.02887 7.94178 11.3043 9.84703 9.85543 7.28361 numMergedOcc 0
25 mol 98 unq 2 iso 1 dist 5.08437 5.10496 3.9764 10.2427 10.1136 8.7497 8.40073 6.10456 5.2571 5.02887 7.94178 11.3043 9.84703 7.28361 9.85543 numMergedOcc 0
26 mol 98 unq 3 iso 0 dist 5.08437 5.10496 3.9764 8.40073 6.10456 5.2571 10.2427 10.1136 8.7497 5.02887 4.4057 6.65501 4.62494 9.67482 12.0974 numMergedOcc 0
27 mol 98 unq 3 iso 1 dist 5.08437 5.10496 3.9764 10.2427 10.1136 8.7497 8.40073 6.10456 5.2571 5.02887 4.4057 6.65501 4.62494 12.0974 9.67482 numMergedOcc 0
28 mol 98 unq 4 iso 0 dist 6.48948 5.92242 3.9764 9.51923 5.08437 5.10496 9.42358 6.10456 5.2571 8.40073 15.7178 11.3043 9.84703 7.94178 9.85543 numMergedOcc 0
29 mol 98 unq 4 iso 1 dist 6.48948 5.92242 3.9764 9.42358 6.10456 5.2571 9.51923 5.08437 5.10496 8.40073 15.7178 11.3043 9.84703 9.85543 7.94178 numMergedOcc 0
30 mol 98 unq 5 iso 0 dist 6.48948 5.92242 3.9764 9.51923 5.08437 5.10496 9.42358 6.10456 5.2571 8.40073 7.42446 6.65501 4.62494 4.4057 9.67482 numMergedOcc 0
31 mol 98 unq 5 iso 1 dist 6.48948 5.92242 3.9764 9.42358 6.10456 5.2571 9.51923 5.08437 5.10496 8.40073 7.42446 6.65501 4.62494 9.67482 4.4057 numMergedOcc 0
32 mol 98 unq 6 iso 0 dist 6.48948 5.92242 3.9764 9.51923 5.08437 5.10496 13.9786 10.1136 8.7497 10.2427 15.7178 11.3043 9.84703 7.94178 7.28361 numMergedOcc 0
33 mol 98 unq 6 iso 1 dist 6.48948 5.92242 3.9764 13.9786 10.1136 8.7497 9.51923 5.08437 5.10496 10.2427 15.7178 11.3043 9.84703 7.28361 7.94178 numMergedOcc 0
34 mol 98 unq 7 iso 0 dist 6.48948 5.92242 3.9764 9.51923 5.08437 5.10496 13.9786 10.1136 8.7497 10.2427 7.42446 6.65501 4.62494 4.4057 12.0974 numMergedOcc 0
35 mol 98 unq 7 iso 1 dist 6.48948 5.92242 3.9764 13.9786 10.1136 8.7497 9.51923 5.08437 5.10496 10.2427 7.42446 6.65501 4.62494 12.0974 4.4057 numMergedOcc 0
36 mol 98 unq 6 iso 0 dist 6.48948 5.92242 3.9764 9.42358 6.10456 5.2571 13.9786 10.1136 8.7497 5.02887 15.7178 11.3043 9.84703 9.85543 7.28361 numMergedOcc 0
37 mol 98 unq 6 iso 1 dist 6.48948 5.92242 3.9764 13.9786 10.1136 8.7497 9.42358 6.10456 5.2571 5.02887 15.7178 11.3043 9.84703 7.28361 9.85543 numMergedOcc 0
38 mol 98 unq 7 iso 0 dist 6.48948 5.92242 3.9764 9.42358 6.10456 5.2571 13.9786 10.1136 8.7497 5.02887 7.42446 6.65501 4.62494 9.67482 12.0974 numMergedOcc 0
39 mol 98 unq 7 iso 1 dist 6.48948 5.92242 3.9764 13.9786 10.1136 8.7497 9.42358 6.10456 5.2571 5.02887 7.42446 6.65501 4.62494 12.0974 9.67482 numMergedOcc 0
40 mol 98 unq 8 iso 0 dist 6.10456 7.54889 10.4782 13.659 17.4071 9.64383 5.02887 10.1136 7.78931 14.591 9.67482 6.65501 8.46823 16.4267 12.0974 numMergedOcc 0
41 mol 98 unq 8 iso 1 dist 6.10456 7.54889 10.4782 5.02887 10.1136 7.78931 13.659 17.4071 9.64383 14.591 9.67482 6.65501 8.46823 12.0974 16.4267 numMergedOcc 0
42 mol 98 unq 9 iso 0 dist 6.10456 7.54889 10.4782 13.659 17.4071 9.64383 5.02887 10.1136 7.78931 14.591 9.85543 11.3043 9.25444 18.5442 7.28361 numMergedOcc 0
43 mol 98 unq 9 iso 1 dist 6.10456 7.54889 10.4782 5.02887 10.1136 7.78931 13.659 17.4071 9.64383 14.591 9.85543 11.3043 9.25444 7.28361 18.5442 numMergedOcc 0
44 mol 98 unq 10 iso 0 dist 6.10456 5.2571 3.9764 8.40073 5.08437 5.10496 9.42358 6.48948 5.92242 9.51923 9.85543 11.3043 9.84703 7.94178 15.7178 numMergedOcc 0
45 mol 98 unq 10 iso 1 dist 6.10456 5.2571 3.9764 9.42358 6.48948 5.92242 8.40073 5.08437 5.10496 9.51923 9.85543 11.3043 9.84703 15.7178 7.94178 numMergedOcc 0
46 mol 98 unq 11 iso 0 dist 6.10456 5.2571 3.9764 8.40073 5.08437 5.10496 9.42358 6.48948 5.92242 9.51923 9.67482 6.65501 4.62494 4.4057 7.42446 numMergedOcc 0
47 mol 98 unq 11 iso 1 dist 6.10456 5.2571 3.9764 9.42358 6.48948 5.92242 8.40073 5.08437 5.10496 9.51923 9.67482 6.65501 4.62494 7.42446 4.4057 numMergedOcc 0
48 mol 98 unq 12 iso 0 dist 6.10456 5.2571 3.9764 8.40073 5.08437 5.10496 5.02887 10.1136 8.7497 10.2427 9.85543 11.3043 9.84703 7.94178 7.28361 numMergedOcc 0
49 mol 98 unq 12 iso 1 dist 6.10456 5.2571 3.9764 5.02887 10.1136 8.7497 8.40073 5.08437 5.10496 10.2427 9.85543 11.3043 9.84703 7.28361 7.94178 numMergedOcc 0
50 mol 98 unq 13 iso 0 dist 6.10456 5.2571 3.9764 8.40073 5.08437 5.10496 5.02887 10.1136 8.7497 10.2427 9.67482 6.65501 4.62494 4.4057 12.0974 numMergedOcc 0
51 mol 98 unq 13 iso 1 dist 6.10456 5.2571 3.9764 5.02887 10.1136 8.7497 8.40073 5.08437 5.10496 10.2427 9.67482 6.65501 4.62494 12.0974 4.4057 numMergedOcc 0
52 mol 98 unq 12 iso 0 dist 6.10456 5.2571 3.9764 9.42358 6.48948 5.92242 5.02887 10.1136 8.7497 13.9786 9.85543 11.3043 9.84703 15.7178 7.28361 numMergedOcc 0
53 mol 98 unq 12 iso 1 dist 6.10456 5.2571 3.9764 5.02887 10.1136 8.7497 9.42358 6.48948 5.92242 13.9786 9.85543 11.3043 9.84703 7.28361 15.7178 numMergedOcc 0
54 mol 98 unq 13 iso 0 dist 6.10456 5.2571 3.9764 9.42358 6.48948 5.92242 5.02887 10.1136 8.7497 13.9786 9.67482 6.65501 4.62494 7.42446 12.0974 numMergedOcc 0
55 mol 98 unq 13 iso 1 dist 6.10456 5.2571 3.9764 5.02887 10.1136 8.7497 9.42358 6.48948 5.92242 13.9786 9.67482 6.65501 4.62494 12.0974 7.42446 numMergedOcc 0
56 mol 119 unq 0 iso 0 dist 8.73993 7.64052 9.68677 9.93257 16.4353 8.95212 4.85907 10.3704 6.99446 10.9871 12.0175 17.8739 8.67537 5.13589 10.8661 numMergedOcc 0
57 mol 119 unq 0 iso 1 dist 8.73993 7.64052 9.68677 4.85907 10.3704 6.99446 9.93257 16.4353 8.95212 10.9871 12.0175 17.8739 8.67537 10.8661 5.13589 numMergedOcc 0
58 mol 119 unq 1 iso 0 dist 9.87172 6.99446 6.20019 10.9871 13.9919 8.95212 4.85907 12.6489 7.64052 9.93257 10.8661 11.5311 8.67537 5.13589 12.0175 numMergedOcc 0
59 mol 119 unq 1 iso 1 dist 9.87172 6.99446 6.20019 4.85907 12.6489 7.64052 10.9871 13.9919 8.95212 9.93257 10.8661 11.5311 8.67537 12.0175 5.13589 numMergedOcc 0
60 mol 119 unq 2 iso 0 dist 6.18601 8.95212 4.39676 10.9871 10.1813 6.99446 9.93257 9.72413 7.64052 4.85907 5.13589 6.73586 8.67537 10.8661 12.0175 numMergedOcc 0
61 mol 119 unq 2 iso 1 dist 6.18601 8.95212 4.39676 9.93257 9.72413 7.64052 10.9871 10.1813 6.99446 4.85907 5.13589 6.73586 8.67537 12.0175 10.8661 numMergedOcc 0
62 mol 134 unq 0 iso 0 dist 8.94367 7.21868 8.06642 5.62899 11.7385 9.66543 5.49782 6.37586 7.93372 10.7144 4.57832 6.23142 9.0176 7.1797 5.29786 numMergedOcc 0
63 mol 134 unq 0 iso 1 dist 8.94367 7.21868 8.06642 5.49782 6.37586 7.93372 5.62899 11.7385 9.66543 10.7144 4.57832 6.23142 9.0176 5.29786 7.1797 numMergedOcc 0
64 mol 134 unq 1 iso 0 dist 6.37586 7.93372 8.06642 10.7144 11.7385 9.66543 5.49782 8.94367 7.21868 5.62899 5.29786 6.23142 9.0176 7.1797 4.57832 numMergedOcc 0
65 mol 134 unq 1 iso 1 dist 6.37586 7.93372 8.06642 5.49782 8.94367 7.21868 10.7144 11.7385 9.66543 5.62899 5.29786 6.23142 9.0176 4.57832 7.1797 numMergedOcc 0
66 mol 134 unq 2 iso 0 dist 9.86662 7.21868 4.00092 5.62899 11.3835 9.66543 5.49782 9.71307 7.93372 10.7144 4.57832 9.94764 9.0176 7.1797 5.29786 numMergedOcc 0
67 mol 134 unq 2 iso 1 dist 9.86662 7.21868 4.00092 5.49782 9.71307 7.93372 5.62899 11.3835 9.66543 10.7144 4.57832 9.94764 9.0176 5.29786 7.1797 numMergedOcc 0
68 mol 134 unq 3 iso 0 dist 9.71307 7.93372 4.00092 10.7144 11.3835 9.66543 5.49782 9.86662 7.21868 5.62899 5.29786 9.94764 9.0176 7.1797 4.57832 numMergedOcc 0
69 mol 134 unq 3 iso 1 dist 9.71307 7.93372 4.00092 5.49782 9.86662 7.21868 10.7144 11.3835 9.66543 5.62899 5.29786 9.94764 9.0176 4.57832 7.1797 numMergedOcc 0
70 mol 167 unq 0 iso 0 dist 9.87651 7.02548 11.6011 4.70068 12.4733 6.84752 10.3445 17.5366 7.86563 6.44246 7.08726 16.4813 8.86449 4.64019 5.90938 numMergedOcc 0
71 mol 167 unq 0 iso 1 dist 9.87651 7.02548 11.6011 10.3445 17.5366 7.86563 4.70068 12.4733 6.84752 6.44246 7.08726 16.4813 8.86449 5.90938 4.64019 numMergedOcc 0
72 mol 224 unq 0 iso 0 dist 6.65832 6.99769 5.76843 6.77699 6.60589 8.79428 11.328 9.16166 6.8692 8.49799 5.91654 10.8507 9.25617 7.38836 10.6079 numMergedOcc 0
73 mol 224 unq 0 iso 1 dist 6.65832 6.99769 5.76843 11.328 9.16166 6.8692 6.77699 6.60589 8.79428 8.49799 5.91654 10.8507 9.25617 10.6079 7.38836 numMergedOcc 0
74 mol 224 unq 1 iso 0 dist 6.65832 6.99769 5.76843 6.77699 6.60589 8.79428 11.328 9.16166 6.8692 8.49799 9.14278 13.4196 9.05276 12.4832 11.5752 numMergedOcc 0
75 mol 224 unq 1 iso 1 dist 6.65832 6.99769 5.76843 11.328 9.16166 6.8692 6.77699 6.60589 8.79428 8.49799 9.14278 13.4196 9.05276 11.5752 12.4832 numMergedOcc 0
76 mol 224 unq 2 iso 0 dist 6.57273 8.79428 7.05804 6.77699 10.103 6.99769 8.49799 5.78342 6.8692 11.328 7.38836 11.9653 9.25617 5.91654 10.6079 numMergedOcc 0
77 mol 224 unq 2 iso 1 dist 6.57273 8.79428 7.05804 8.49799 5.78342 6.8692 6.77699 10.103 6.99769 11.328 7.38836 11.9653 9.25617 10.6079 5.91654 numMergedOcc 0
78 mol 224 unq 3 iso 0 dist 6.57273 8.79428 7.05804 6.77699 10.103 6.99769 8.49799 5.78342 6.8692 11.328 12.4832 14.5387 9.05276 9.14278 11.5752 numMergedOcc 0
79 mol 224 unq 3 iso 1 dist 6.57273 8.79428 7.05804 8.49799 5.78342 6.8692 6.77699 10.103 6.99769 11.328 12.4832 14.5387 9.05276 11.5752 9.14278 numMergedOcc 0
80 mol 224 unq 4 iso 0 dist 6.60589 8.79428 5.76843 6.77699 6.65832 6.99769 8.49799 9.16166 6.8692 11.328 7.38836 10.8507 9.25617 5.91654 10.6079 numMergedOcc 0
81 mol 224 unq 4 iso 1 dist 6.60589 8.79428 5.76843 8.49799 9.16166 6.8692 6.77699 6.65832 6.99769 11.328 7.38836 10.8507 9.25617 10.6079 5.91654 numMergedOcc 0
82 mol 224 unq 5 iso 0 dist 6.60589 8.79428 5.76843 6.77699 6.65832 6.99769 8.49799 9.16166 6.8692 11.328 12.4832 13.4196 9.05276 9.14278 11.5752 numMergedOcc 0
83 mol 224 unq 5 iso 1 dist 6.60589 8.79428 5.76843 8.49799 9.16166 6.8692 6.77699 6.65832 6.99769 11.328 12.4832 13.4196 9.05276 11.5752 9.14278 numMergedOcc 0
84 mol 224 unq 6 iso 0 dist 5.78342 6.8692 7.05804 11.328 10.103 6.99769 8.49799 6.57273 8.79428 6.77699 10.6079 11.9653 9.25617 5.91654 7.38836 numMergedOcc 0
85 mol 224 unq 6 iso 1 dist 5.78342 6.8692 7.05804 8.49799 6.57273 8.79428 11.328 10.103 6.99769 6.77699 10.6079 11.9653 9.25617 7.38836 5.91654 numMergedOcc 0
86 mol 224 unq 7 iso 0 dist 5.78342 6.8692 7.05804 11.328 10.103 6.99769 8.49799 6.57273 8.79428 6.77699 11.5752 14.5387 9.05276 9.14278 12.4832 numMergedOcc 0
87 mol 224 unq 7 iso 1 dist 5.78342 6.8692 7.05804 8.49799 6.57273 8.79428 11.328 10.103 6.99769 6.77699 11.5752 14.5387 9.05276 12.4832 9.14278 numMergedOcc 0
88 mol 224 unq 8 iso 0 dist 9.16166 6.8692 5.76843 11.328 6.65832 6.99769 8.49799 6.60589 8.79428 6.77699 10.6079 10.8507 9.25617 5.91654 7.38836 numMergedOcc 0
89 mol 224 unq 8 iso 1 dist 9.16166 6.8692 5.76843 8.49799 6.60589 8.79428 11.328 6.65832 6.99769 6.77699 10.6079 10.8507 9.25617 7.38836 5.91654 numMergedOcc 0
90 mol 224 unq 9 iso 0 dist 9.16166 6.8692 5.76843 11.328 6.65832 6.99769 8.49799 6.60589 8.79428 6.77699 11.5752 13.4196 9.05276 9.14278 12.4832 numMergedOcc 0
91 mol 224 unq 9 iso 1 dist 9.16166 6.8692 5.76843 8.49799 6.60589 8.79428 11.328 6.65832 6.99769 6.77699 11.5752 13.4196 9.05276 12.4832 9.14278 numMergedOcc 0
92 mol 224 unq 10 iso 0 dist 5.81334 6.8692 4.54188 11.328 10.9745 6.99769 8.49799 10.5128 8.79428 6.77699 10.6079 12.9355 9.25617 5.91654 7.38836 numMergedOcc 0
93 mol 224 unq 10 iso 1 dist 5.81334 6.8692 4.54188 8.49799 10.5128 8.79428 11.328 10.9745 6.99769 6.77699 10.6079 12.9355 9.25617 7.38836 5.91654 numMergedOcc 0
94 mol 224 unq 11 iso 0 dist 5.81334 6.8692 4.54188 11.328 10.9745 6.99769 8.49799 10.5128 8.79428 6.77699 11.5752 12.8311 9.05276 9.14278 12.4832 numMergedOcc 0
95 mol 224 unq 11 iso 1 dist 5.81334 6.8692 4.54188 8.49799 10.5128 8.79428 11.328 10.9745 6.99769 6.77699 11.5752 12.8311 9.05276 12.4832 9.14278 numMergedOcc 0
96 mol 229 unq 0 iso 0 dist 8.22528 7.27993 5.70473 5.1556 11.3979 9.51168 7.0298 11.7165 6.95201 6.54885 6.65022 8.66332 9.37336 5.42069 10.2411 numMergedOcc 0
97 mol 229 unq 0 iso 1 dist 8.22528 7.27993 5.70473 7.0298 11.7165 6.95201 5.1556 11.3979 9.51168 6.54885 6.65022 8.66332 9.37336 10.2411 5.42069 numMergedOcc 0
98 mol 229 unq 1 iso 0 dist 7.03423 7.27993 7.22525 5.1556 11.9282 9.51168 7.0298 11.4362 6.95201 6.54885 6.65022 11.1976 9.37336 5.42069 10.2411 numMergedOcc 0
99 mol 229 unq 1 iso 1 dist 7.03423 7.27993 7.22525 7.0298 11.4362 6.95201 5.1556 11.9282 9.51168 6.54885 6.65022 11.1976 9.37336 10.2411 5.42069 numMergedOcc 0
100 mol 229 unq 2 iso 0 dist 9.87838 6.95201 4.61227 7.0298 11.6115 7.27993 6.54885 13.9028 9.51168 5.1556 10.2411 13.8021 9.37336 6.65022 5.42069 numMergedOcc 0
101 mol 229 unq 2 iso 1 dist 9.87838 6.95201 4.61227 6.54885 13.9028 9.51168 7.0298 11.6115 7.27993 5.1556 10.2411 13.8021 9.37336 5.42069 6.65022 numMergedOcc 0
102 mol 239 unq 0 iso 0 dist 6.16342 6.73665 10.6736 11.347 16.5158 9.34438 7.97994 13.7154 9.35949 11.2636 11.169 11.308 8.95511 18.2672 13.9678 numMergedOcc 0
103 mol 239 unq 0 iso 1 dist 6.16342 6.73665 10.6736 7.97994 13.7154 9.35949 11.347 16.5158 9.34438 11.2636 11.169 11.308 8.95511 13.9678 18.2672 numMergedOcc 0
104 mol 239 unq 1 iso 0 dist 6.16342 6.73665 10.6736 11.347 16.5158 9.34438 7.97994 13.7154 9.35949 11.2636 5.88931 10.3435 5.85002 6.22471 9.88845 numMergedOcc 0
105 mol 239 unq 1 iso 1 dist 6.16342 6.73665 10.6736 7.97994 13.7154 9.35949 11.347 16.5158 9.34438 11.2636 5.88931 10.3435 5.85002 9.88845 6.22471 numMergedOcc 0
106 mol 277 unq 0 iso 0 dist 9.7748 8.9682 17.6038 11.8268 21.4606 9.57499 7.08227 16.3537 5.46926 7.69449 7.70529 16.795 9.26157 6.28695 4.37645 numMergedOcc 0
107 mol 277 unq 0 iso 1 dist 9.7748 8.9682 17.6038 7.08227 16.3537 5.46926 11.8268 21.4606 9.57499 7.69449 7.70529 16.795 9.26157 4.37645 6.28695 numMergedOcc 0
