0 mol 58 unq 0 iso 0 dist 8.66539 5.79773 5.38524 10.8779 8.69057 5.47421 6.49081 9.02642 9.37804 14.0374 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 8.66539 10.8779 8.69057 5.79773 5.38524 5.47421 6.49081 9.02642 14.0374 9.37804 numMergedOcc 0
2 mol 58 unq 0 iso 2 dist 5.38524 5.79773 8.66539 5.47421 8.69057 10.8779 9.37804 9.02642 6.49081 14.0374 numMergedOcc 0
3 mol 58 unq 0 iso 3 dist 5.38524 5.47421 8.69057 5.79773 8.66539 10.8779 9.37804 9.02642 14.0374 6.49081 numMergedOcc 0
4 mol 58 unq 0 iso 4 dist 8.69057 10.8779 8.66539 5.47421 5.38524 5.79773 14.0374 9.02642 6.49081 9.37804 numMergedOcc 0
5 mol 58 unq 0 iso 5 dist 8.69057 5.47421 5.38524 10.8779 8.66539 5.79773 14.0374 9.02642 9.37804 6.49081 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 7.57295 5.67502 8.4312 6.54743 7.48086 5.00018 9.49968 6.63448 5.94827 5.32257 numMergedOcc 0
7 mol 60 unq 0 iso 1 dist 7.57295 6.54743 7.48086 5.67502 8.4312 5.00018 9.49968 6.63448 5.32257 5.94827 numMergedOcc 0
8 mol 60 unq 0 iso 2 dist 8.4312 5.67502 7.57295 5.00018 7.48086 6.54743 5.94827 6.63448 9.49968 5.32257 numMergedOcc 0
9 mol 60 unq 0 iso 3 dist 8.4312 5.00018 7.48086 5.67502 7.57295 6.54743 5.94827 6.63448 5.32257 9.49968 numMergedOcc 0
10 mol 60 unq 0 iso 4 dist 7.48086 6.54743 7.57295 5.00018 8.4312 5.67502 5.32257 6.63448 9.49968 5.94827 numMergedOcc 0
11 mol 60 unq 0 iso 5 dist 7.48086 5.00018 8.4312 6.54743 7.57295 5.67502 5.32257 6.63448 5.94827 9.49968 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.10496 9.51923 5.92242 8.40073 5.2571 9.42358 7.94178 9.84703 15.7178 9.85543 numMergedOcc 0
13 mol 98 unq 0 iso 1 dist 5.10496 8.40073 5.2571 9.51923 5.92242 9.42358 7.94178 9.84703 9.85543 15.7178 numMergedOcc 0
14 mol 98 unq 0 iso 2 dist 5.92242 9.51923 5.10496 9.42358 5.2571 8.40073 15.7178 9.84703 7.94178 9.85543 numMergedOcc 0
15 mol 98 unq 0 iso 3 dist 5.92242 9.42358 5.2571 9.51923 5.10496 8.40073 15.7178 9.84703 9.85543 7.94178 numMergedOcc 0
16 mol 98 unq 0 iso 4 dist 5.2571 8.40073 5.10496 9.42358 5.92242 9.51923 9.85543 9.84703 7.94178 15.7178 numMergedOcc 0
17 mol 98 unq 0 iso 5 dist 5.2571 9.42358 5.92242 8.40073 5.10496 9.51923 9.85543 9.84703 15.7178 7.94178 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 5.10496 9.51923 5.92242 8.40073 5.2571 9.42358 4.4057 4.62494 7.42446 9.67482 numMergedOcc 0
19 mol 98 unq 1 iso 1 dist 5.10496 8.40073 5.2571 9.51923 5.92242 9.42358 4.4057 4.62494 9.67482 7.42446 numMergedOcc 0
20 mol 98 unq 1 iso 2 dist 5.92242 9.51923 5.10496 9.42358 5.2571 8.40073 7.42446 4.62494 4.4057 9.67482 numMergedOcc 0
21 mol 98 unq 1 iso 3 dist 5.92242 9.42358 5.2571 9.51923 5.10496 8.40073 7.42446 4.62494 9.67482 4.4057 numMergedOcc 0
22 mol 98 unq 1 iso 4 dist 5.2571 8.40073 5.10496 9.42358 5.92242 9.51923 9.67482 4.62494 4.4057 7.42446 numMergedOcc 0
23 mol 98 unq 1 iso 5 dist 5.2571 9.42358 5.92242 8.40073 5.10496 9.51923 9.67482 4.62494 7.42446 4.4057 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 5.10496 9.51923 5.92242 10.2427 8.7497 13.9786 7.94178 9.84703 15.7178 7.28361 numMergedOcc 0
25 mol 98 unq 2 iso 1 dist 5.10496 10.2427 8.7497 9.51923 5.92242 13.9786 7.94178 9.84703 7.28361 15.7178 numMergedOcc 0
26 mol 98 unq 2 iso 2 dist 5.92242 9.51923 5.10496 13.9786 8.7497 10.2427 15.7178 9.84703 7.94178 7.28361 numMergedOcc 0
27 mol 98 unq 2 iso 3 dist 5.92242 13.9786 8.7497 9.51923 5.10496 10.2427 15.7178 9.84703 7.28361 7.94178 numMergedOcc 0
28 mol 98 unq 2 iso 4 dist 8.7497 10.2427 5.10496 13.9786 5.92242 9.51923 7.28361 9.84703 7.94178 15.7178 numMergedOcc 0
29 mol 98 unq 2 iso 5 dist 8.7497 13.9786 5.92242 10.2427 5.10496 9.51923 7.28361 9.84703 15.7178 7.94178 numMergedOcc 0
30 mol 98 unq 3 iso 0 dist 5.10496 9.51923 5.92242 10.2427 8.7497 13.9786 4.4057 4.62494 7.42446 12.0974 numMergedOcc 0
31 mol 98 unq 3 iso 1 dist 5.10496 10.2427 8.7497 9.51923 5.92242 13.9786 4.4057 4.62494 12.0974 7.42446 numMergedOcc 0
32 mol 98 unq 3 iso 2 dist 5.92242 9.51923 5.10496 13.9786 8.7497 10.2427 7.42446 4.62494 4.4057 12.0974 numMergedOcc 0
33 mol 98 unq 3 iso 3 dist 5.92242 13.9786 8.7497 9.51923 5.10496 10.2427 7.42446 4.62494 12.0974 4.4057 numMergedOcc 0
34 mol 98 unq 3 iso 4 dist 8.7497 10.2427 5.10496 13.9786 5.92242 9.51923 12.0974 4.62494 4.4057 7.42446 numMergedOcc 0
35 mol 98 unq 3 iso 5 dist 8.7497 13.9786 5.92242 10.2427 5.10496 9.51923 12.0974 4.62494 7.42446 4.4057 numMergedOcc 0
36 mol 98 unq 2 iso 0 dist 5.10496 8.40073 5.2571 10.2427 8.7497 5.02887 7.94178 9.84703 9.85543 7.28361 numMergedOcc 0
37 mol 98 unq 2 iso 1 dist 5.10496 10.2427 8.7497 8.40073 5.2571 5.02887 7.94178 9.84703 7.28361 9.85543 numMergedOcc 0
38 mol 98 unq 2 iso 2 dist 5.2571 8.40073 5.10496 5.02887 8.7497 10.2427 9.85543 9.84703 7.94178 7.28361 numMergedOcc 0
39 mol 98 unq 2 iso 3 dist 5.2571 5.02887 8.7497 8.40073 5.10496 10.2427 9.85543 9.84703 7.28361 7.94178 numMergedOcc 0
40 mol 98 unq 2 iso 4 dist 8.7497 10.2427 5.10496 5.02887 5.2571 8.40073 7.28361 9.84703 7.94178 9.85543 numMergedOcc 0
41 mol 98 unq 2 iso 5 dist 8.7497 5.02887 5.2571 10.2427 5.10496 8.40073 7.28361 9.84703 9.85543 7.94178 numMergedOcc 0
42 mol 98 unq 3 iso 0 dist 5.10496 8.40073 5.2571 10.2427 8.7497 5.02887 4.4057 4.62494 9.67482 12.0974 numMergedOcc 0
43 mol 98 unq 3 iso 1 dist 5.10496 10.2427 8.7497 8.40073 5.2571 5.02887 4.4057 4.62494 12.0974 9.67482 numMergedOcc 0
44 mol 98 unq 3 iso 2 dist 5.2571 8.40073 5.10496 5.02887 8.7497 10.2427 9.67482 4.62494 4.4057 12.0974 numMergedOcc 0
45 mol 98 unq 3 iso 3 dist 5.2571 5.02887 8.7497 8.40073 5.10496 10.2427 9.67482 4.62494 12.0974 4.4057 numMergedOcc 0
46 mol 98 unq 3 iso 4 dist 8.7497 10.2427 5.10496 5.02887 5.2571 8.40073 12.0974 4.62494 4.4057 9.67482 numMergedOcc 0
47 mol 98 unq 3 iso 5 dist 8.7497 5.02887 5.2571 10.2427 5.10496 8.40073 12.0974 4.62494 9.67482 4.4057 numMergedOcc 0
48 mol 98 unq 4 iso 0 dist 9.64383 13.659 7.54889 14.591 7.78931 5.02887 16.4267 8.46823 9.67482 12.0974 numMergedOcc 0
49 mol 98 unq 4 iso 1 dist 9.64383 14.591 7.78931 13.659 7.54889 5.02887 16.4267 8.46823 12.0974 9.67482 numMergedOcc 0
50 mol 98 unq 4 iso 2 dist 7.54889 13.659 9.64383 5.02887 7.78931 14.591 9.67482 8.46823 16.4267 12.0974 numMergedOcc 0
51 mol 98 unq 4 iso 3 dist 7.54889 5.02887 7.78931 13.659 9.64383 14.591 9.67482 8.46823 12.0974 16.4267 numMergedOcc 0
52 mol 98 unq 4 iso 4 dist 7.78931 14.591 9.64383 5.02887 7.54889 13.659 12.0974 8.46823 16.4267 9.67482 numMergedOcc 0
53 mol 98 unq 4 iso 5 dist 7.78931 5.02887 7.54889 14.591 9.64383 13.659 12.0974 8.46823 9.67482 16.4267 numMergedOcc 0
54 mol 98 unq 5 iso 0 dist 9.64383 13.659 7.54889 14.591 7.78931 5.02887 18.5442 9.25444 9.85543 7.28361 numMergedOcc 0
55 mol 98 unq 5 iso 1 dist 9.64383 14.591 7.78931 13.659 7.54889 5.02887 18.5442 9.25444 7.28361 9.85543 numMergedOcc 0
56 mol 98 unq 5 iso 2 dist 7.54889 13.659 9.64383 5.02887 7.78931 14.591 9.85543 9.25444 18.5442 7.28361 numMergedOcc 0
57 mol 98 unq 5 iso 3 dist 7.54889 5.02887 7.78931 13.659 9.64383 14.591 9.85543 9.25444 7.28361 18.5442 numMergedOcc 0
58 mol 98 unq 5 iso 4 dist 7.78931 14.591 9.64383 5.02887 7.54889 13.659 7.28361 9.25444 18.5442 9.85543 numMergedOcc 0
59 mol 98 unq 5 iso 5 dist 7.78931 5.02887 7.54889 14.591 9.64383 13.659 7.28361 9.25444 9.85543 18.5442 numMergedOcc 0
60 mol 98 unq 2 iso 0 dist 5.92242 9.42358 5.2571 13.9786 8.7497 5.02887 15.7178 9.84703 9.85543 7.28361 numMergedOcc 0
61 mol 98 unq 2 iso 1 dist 5.92242 13.9786 8.7497 9.42358 5.2571 5.02887 15.7178 9.84703 7.28361 9.85543 numMergedOcc 0
62 mol 98 unq 2 iso 2 dist 5.2571 9.42358 5.92242 5.02887 8.7497 13.9786 9.85543 9.84703 15.7178 7.28361 numMergedOcc 0
63 mol 98 unq 2 iso 3 dist 5.2571 5.02887 8.7497 9.42358 5.92242 13.9786 9.85543 9.84703 7.28361 15.7178 numMergedOcc 0
64 mol 98 unq 2 iso 4 dist 8.7497 13.9786 5.92242 5.02887 5.2571 9.42358 7.28361 9.84703 15.7178 9.85543 numMergedOcc 0
65 mol 98 unq 2 iso 5 dist 8.7497 5.02887 5.2571 13.9786 5.92242 9.42358 7.28361 9.84703 9.85543 15.7178 numMergedOcc 0
66 mol 98 unq 3 iso 0 dist 5.92242 9.42358 5.2571 13.9786 8.7497 5.02887 7.42446 4.62494 9.67482 12.0974 numMergedOcc 0
67 mol 98 unq 3 iso 1 dist 5.92242 13.9786 8.7497 9.42358 5.2571 5.02887 7.42446 4.62494 12.0974 9.67482 numMergedOcc 0
68 mol 98 unq 3 iso 2 dist 5.2571 9.42358 5.92242 5.02887 8.7497 13.9786 9.67482 4.62494 7.42446 12.0974 numMergedOcc 0
69 mol 98 unq 3 iso 3 dist 5.2571 5.02887 8.7497 9.42358 5.92242 13.9786 9.67482 4.62494 12.0974 7.42446 numMergedOcc 0
70 mol 98 unq 3 iso 4 dist 8.7497 13.9786 5.92242 5.02887 5.2571 9.42358 12.0974 4.62494 7.42446 9.67482 numMergedOcc 0
71 mol 98 unq 3 iso 5 dist 8.7497 5.02887 5.2571 13.9786 5.92242 9.42358 12.0974 4.62494 9.67482 7.42446 numMergedOcc 0
72 mol 112 unq 0 iso 0 dist 7.7988 4.97527 9.40824 6.34999 4.22363 6.72751 6.41459 8.06134 7.18484 4.35926 numMergedOcc 0
73 mol 112 unq 0 iso 1 dist 7.7988 6.34999 4.22363 4.97527 9.40824 6.72751 6.41459 8.06134 4.35926 7.18484 numMergedOcc 0
74 mol 112 unq 0 iso 2 dist 9.40824 4.97527 7.7988 6.72751 4.22363 6.34999 7.18484 8.06134 6.41459 4.35926 numMergedOcc 0
75 mol 112 unq 0 iso 3 dist 9.40824 6.72751 4.22363 4.97527 7.7988 6.34999 7.18484 8.06134 4.35926 6.41459 numMergedOcc 0
76 mol 112 unq 0 iso 4 dist 4.22363 6.34999 7.7988 6.72751 9.40824 4.97527 4.35926 8.06134 6.41459 7.18484 numMergedOcc 0
77 mol 112 unq 0 iso 5 dist 4.22363 6.72751 9.40824 6.34999 7.7988 4.97527 4.35926 8.06134 7.18484 6.41459 numMergedOcc 0
78 mol 112 unq 1 iso 0 dist 7.7988 4.97527 9.40824 6.34999 4.22363 6.72751 7.64054 5.36587 10.9474 5.76098 numMergedOcc 0
79 mol 112 unq 1 iso 1 dist 7.7988 6.34999 4.22363 4.97527 9.40824 6.72751 7.64054 5.36587 5.76098 10.9474 numMergedOcc 0
80 mol 112 unq 1 iso 2 dist 9.40824 4.97527 7.7988 6.72751 4.22363 6.34999 10.9474 5.36587 7.64054 5.76098 numMergedOcc 0
81 mol 112 unq 1 iso 3 dist 9.40824 6.72751 4.22363 4.97527 7.7988 6.34999 10.9474 5.36587 5.76098 7.64054 numMergedOcc 0
82 mol 112 unq 1 iso 4 dist 4.22363 6.34999 7.7988 6.72751 9.40824 4.97527 5.76098 5.36587 7.64054 10.9474 numMergedOcc 0
83 mol 112 unq 1 iso 5 dist 4.22363 6.72751 9.40824 6.34999 7.7988 4.97527 5.76098 5.36587 10.9474 7.64054 numMergedOcc 0
84 mol 119 unq 0 iso 0 dist 8.95212 10.9871 6.99446 9.93257 7.64052 4.85907 5.13589 8.67537 10.8661 12.0175 numMergedOcc 0
85 mol 119 unq 0 iso 1 dist 8.95212 9.93257 7.64052 10.9871 6.99446 4.85907 5.13589 8.67537 12.0175 10.8661 numMergedOcc 0
86 mol 119 unq 0 iso 2 dist 6.99446 10.9871 8.95212 4.85907 7.64052 9.93257 10.8661 8.67537 5.13589 12.0175 numMergedOcc 0
87 mol 119 unq 0 iso 3 dist 6.99446 4.85907 7.64052 10.9871 8.95212 9.93257 10.8661 8.67537 12.0175 5.13589 numMergedOcc 0
88 mol 119 unq 0 iso 4 dist 7.64052 9.93257 8.95212 4.85907 6.99446 10.9871 12.0175 8.67537 5.13589 10.8661 numMergedOcc 0
89 mol 119 unq 0 iso 5 dist 7.64052 4.85907 6.99446 9.93257 8.95212 10.9871 12.0175 8.67537 10.8661 5.13589 numMergedOcc 0
90 mol 134 unq 0 iso 0 dist 9.66543 5.62899 7.21868 10.7144 7.93372 5.49782 7.1797 9.0176 4.57832 5.29786 numMergedOcc 0
91 mol 134 unq 0 iso 1 dist 9.66543 10.7144 7.93372 5.62899 7.21868 5.49782 7.1797 9.0176 5.29786 4.57832 numMergedOcc 0
92 mol 134 unq 0 iso 2 dist 7.21868 5.62899 9.66543 5.49782 7.93372 10.7144 4.57832 9.0176 7.1797 5.29786 numMergedOcc 0
93 mol 134 unq 0 iso 3 dist 7.21868 5.49782 7.93372 5.62899 9.66543 10.7144 4.57832 9.0176 5.29786 7.1797 numMergedOcc 0
94 mol 134 unq 0 iso 4 dist 7.93372 10.7144 9.66543 5.49782 7.21868 5.62899 5.29786 9.0176 7.1797 4.57832 numMergedOcc 0
95 mol 134 unq 0 iso 5 dist 7.93372 5.49782 7.21868 10.7144 9.66543 5.62899 5.29786 9.0176 4.57832 7.1797 numMergedOcc 0
96 mol 167 unq 0 iso 0 dist 6.84752 6.44246 7.86563 4.70068 7.02548 10.3445 4.64019 8.86449 5.90938 7.08726 numMergedOcc 0
97 mol 167 unq 0 iso 1 dist 6.84752 4.70068 7.02548 6.44246 7.86563 10.3445 4.64019 8.86449 7.08726 5.90938 numMergedOcc 0
98 mol 167 unq 0 iso 2 dist 7.86563 6.44246 6.84752 10.3445 7.02548 4.70068 5.90938 8.86449 4.64019 7.08726 numMergedOcc 0
99 mol 167 unq 0 iso 3 dist 7.86563 10.3445 7.02548 6.44246 6.84752 4.70068 5.90938 8.86449 7.08726 4.64019 numMergedOcc 0
100 mol 167 unq 0 iso 4 dist 7.02548 4.70068 6.84752 10.3445 7.86563 6.44246 7.08726 8.86449 4.64019 5.90938 numMergedOcc 0
101 mol 167 unq 0 iso 5 dist 7.02548 10.3445 7.86563 4.70068 6.84752 6.44246 7.08726 8.86449 5.90938 4.64019 numMergedOcc 0
102 mol 224 unq 0 iso 0 dist 6.99769 6.77699 8.79428 11.328 6.8692 8.49799 5.91654 9.25617 7.38836 10.6079 numMergedOcc 0
103 mol 224 unq 0 iso 1 dist 6.99769 11.328 6.8692 6.77699 8.79428 8.49799 5.91654 9.25617 10.6079 7.38836 numMergedOcc 0
104 mol 224 unq 0 iso 2 dist 8.79428 6.77699 6.99769 8.49799 6.8692 11.328 7.38836 9.25617 5.91654 10.6079 numMergedOcc 0
105 mol 224 unq 0 iso 3 dist 8.79428 8.49799 6.8692 6.77699 6.99769 11.328 7.38836 9.25617 10.6079 5.91654 numMergedOcc 0
106 mol 224 unq 0 iso 4 dist 6.8692 11.328 6.99769 8.49799 8.79428 6.77699 10.6079 9.25617 5.91654 7.38836 numMergedOcc 0
107 mol 224 unq 0 iso 5 dist 6.8692 8.49799 8.79428 11.328 6.99769 6.77699 10.6079 9.25617 7.38836 5.91654 numMergedOcc 0
108 mol 224 unq 1 iso 0 dist 6.99769 6.77699 8.79428 11.328 6.8692 8.49799 9.14278 9.05276 12.4832 11.5752 numMergedOcc 0
109 mol 224 unq 1 iso 1 dist 6.99769 11.328 6.8692 6.77699 8.79428 8.49799 9.14278 9.05276 11.5752 12.4832 numMergedOcc 0
110 mol 224 unq 1 iso 2 dist 8.79428 6.77699 6.99769 8.49799 6.8692 11.328 12.4832 9.05276 9.14278 11.5752 numMergedOcc 0
111 mol 224 unq 1 iso 3 dist 8.79428 8.49799 6.8692 6.77699 6.99769 11.328 12.4832 9.05276 11.5752 9.14278 numMergedOcc 0
112 mol 224 unq 1 iso 4 dist 6.8692 11.328 6.99769 8.49799 8.79428 6.77699 11.5752 9.05276 9.14278 12.4832 numMergedOcc 0
113 mol 224 unq 1 iso 5 dist 6.8692 8.49799 8.79428 11.328 6.99769 6.77699 11.5752 9.05276 12.4832 9.14278 numMergedOcc 0
114 mol 229 unq 0 iso 0 dist 7.27993 5.1556 9.51168 7.0298 6.95201 6.54885 6.65022 9.37336 5.42069 10.2411 numMergedOcc 0
115 mol 229 unq 0 iso 1 dist 7.27993 7.0298 6.95201 5.1556 9.51168 6.54885 6.65022 9.37336 10.2411 5.42069 numMergedOcc 0
116 mol 229 unq 0 iso 2 dist 9.51168 5.1556 7.27993 6.54885 6.95201 7.0298 5.42069 9.37336 6.65022 10.2411 numMergedOcc 0
117 mol 229 unq 0 iso 3 dist 9.51168 6.54885 6.95201 5.1556 7.27993 7.0298 5.42069 9.37336 10.2411 6.65022 numMergedOcc 0
118 mol 229 unq 0 iso 4 dist 6.95201 7.0298 7.27993 6.54885 9.51168 5.1556 10.2411 9.37336 6.65022 5.42069 numMergedOcc 0
119 mol 229 unq 0 iso 5 dist 6.95201 6.54885 9.51168 7.0298 7.27993 5.1556 10.2411 9.37336 5.42069 6.65022 numMergedOcc 0
120 mol 239 unq 0 iso 0 dist 6.73665 11.347 9.34438 7.97994 9.35949 11.2636 11.169 8.95511 18.2672 13.9678 numMergedOcc 0
121 mol 239 unq 0 iso 1 dist 6.73665 7.97994 9.35949 11.347 9.34438 11.2636 11.169 8.95511 13.9678 18.2672 numMergedOcc 0
122 mol 239 unq 0 iso 2 dist 9.34438 11.347 6.73665 11.2636 9.35949 7.97994 18.2672 8.95511 11.169 13.9678 numMergedOcc 0
123 mol 239 unq 0 iso 3 dist 9.34438 11.2636 9.35949 11.347 6.73665 7.97994 18.2672 8.95511 13.9678 11.169 numMergedOcc 0
124 mol 239 unq 0 iso 4 dist 9.35949 7.97994 6.73665 11.2636 9.34438 11.347 13.9678 8.95511 11.169 18.2672 numMergedOcc 0
125 mol 239 unq 0 iso 5 dist 9.35949 11.2636 9.34438 7.97994 6.73665 11.347 13.9678 8.95511 18.2672 11.169 numMergedOcc 0
126 mol 239 unq 1 iso 0 dist 6.73665 11.347 9.34438 7.97994 9.35949 11.2636 5.88931 5.85002 6.22471 9.88845 numMergedOcc 0
127 mol 239 unq 1 iso 1 dist 6.73665 7.97994 9.35949 11.347 9.34438 11.2636 5.88931 5.85002 9.88845 6.22471 numMergedOcc 0
128 mol 239 unq 1 iso 2 dist 9.34438 11.347 6.73665 11.2636 9.35949 7.97994 6.22471 5.85002 5.88931 9.88845 numMergedOcc 0
129 mol 239 unq 1 iso 3 dist 9.34438 11.2636 9.35949 11.347 6.73665 7.97994 6.22471 5.85002 9.88845 5.88931 numMergedOcc 0
130 mol 239 unq 1 iso 4 dist 9.35949 7.97994 6.73665 11.2636 9.34438 11.347 9.88845 5.85002 5.88931 6.22471 numMergedOcc 0
131 mol 239 unq 1 iso 5 dist 9.35949 11.2636 9.34438 7.97994 6.73665 11.347 9.88845 5.85002 6.22471 5.88931 numMergedOcc 0
132 mol 277 unq 0 iso 0 dist 9.57499 7.69449 5.46926 11.8268 8.9682 7.08227 6.28695 9.26157 4.37645 7.70529 numMergedOcc 0
133 mol 277 unq 0 iso 1 dist 9.57499 11.8268 8.9682 7.69449 5.46926 7.08227 6.28695 9.26157 7.70529 4.37645 numMergedOcc 0
134 mol 277 unq 0 iso 2 dist 5.46926 7.69449 9.57499 7.08227 8.9682 11.8268 4.37645 9.26157 6.28695 7.70529 numMergedOcc 0
135 mol 277 unq 0 iso 3 dist 5.46926 7.08227 8.9682 7.69449 9.57499 11.8268 4.37645 9.26157 7.70529 6.28695 numMergedOcc 0
136 mol 277 unq 0 iso 4 dist 8.9682 11.8268 9.57499 7.08227 5.46926 7.69449 7.70529 9.26157 6.28695 4.37645 numMergedOcc 0
137 mol 277 unq 0 iso 5 dist 8.9682 7.08227 5.46926 11.8268 9.57499 7.69449 7.70529 9.26157 4.37645 6.28695 numMergedOcc 0
