0 mol 16 unq 0 iso 0 dist 8.46837 11.958 8.33883 11.8413 5.38671 5.05803 9.59856 5.45161 6.31718 6.92781 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 8.46837 11.958 8.33883 9.59856 5.45161 6.31718 11.8413 5.38671 5.05803 6.92781 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.58709 9.69698 9.74445 15.7652 10.323 8.80331 15.8918 14.445 6.20293 8.13395 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.58709 9.69698 9.74445 15.8918 14.445 6.20293 15.7652 10.323 8.80331 8.13395 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 7.53564 5.90113 9.74445 9.17086 10.323 8.80331 10.615 14.445 6.20293 8.13395 numMergedOcc 0
5 mol 43 unq 1 iso 1 dist 7.53564 5.90113 9.74445 10.615 14.445 6.20293 9.17086 10.323 8.80331 8.13395 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 6.10175 5.65405 5.59773 14.4402 13.9079 9.5589 10.5929 10.4238 6.83299 5.08001 numMergedOcc 0
7 mol 54 unq 0 iso 1 dist 6.10175 5.65405 5.59773 10.5929 10.4238 6.83299 14.4402 13.9079 9.5589 5.08001 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 6.10175 5.65405 5.59773 14.4402 13.9079 9.5589 6.54183 10.1356 8.10861 16.3192 numMergedOcc 0
9 mol 54 unq 1 iso 1 dist 6.10175 5.65405 5.59773 6.54183 10.1356 8.10861 14.4402 13.9079 9.5589 16.3192 numMergedOcc 0
10 mol 54 unq 1 iso 0 dist 6.10175 5.65405 5.59773 10.5929 10.4238 6.83299 6.54183 10.1356 8.10861 14.2075 numMergedOcc 0
11 mol 54 unq 1 iso 1 dist 6.10175 5.65405 5.59773 6.54183 10.1356 8.10861 10.5929 10.4238 6.83299 14.2075 numMergedOcc 0
12 mol 60 unq 0 iso 0 dist 4.96897 6.96065 5.83937 9.92844 6.62193 6.65595 14.2472 10.9885 9.25011 4.73512 numMergedOcc 0
13 mol 60 unq 0 iso 1 dist 4.96897 6.96065 5.83937 14.2472 10.9885 9.25011 9.92844 6.62193 6.65595 4.73512 numMergedOcc 0
14 mol 60 unq 1 iso 0 dist 4.96897 6.96065 5.83937 9.92844 6.62193 6.65595 12.177 9.96073 6.43294 10.6819 numMergedOcc 0
15 mol 60 unq 1 iso 1 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 9.92844 6.62193 6.65595 10.6819 numMergedOcc 0
16 mol 60 unq 2 iso 0 dist 4.96897 6.96065 5.83937 9.92844 6.62193 6.65595 14.7815 11.2445 8.52121 8.93946 numMergedOcc 0
17 mol 60 unq 2 iso 1 dist 4.96897 6.96065 5.83937 14.7815 11.2445 8.52121 9.92844 6.62193 6.65595 8.93946 numMergedOcc 0
18 mol 60 unq 1 iso 0 dist 4.96897 6.96065 5.83937 14.2472 10.9885 9.25011 12.177 9.96073 6.43294 11.3621 numMergedOcc 0
19 mol 60 unq 1 iso 1 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 14.2472 10.9885 9.25011 11.3621 numMergedOcc 0
20 mol 60 unq 2 iso 0 dist 4.96897 6.96065 5.83937 14.2472 10.9885 9.25011 14.7815 11.2445 8.52121 7.66664 numMergedOcc 0
21 mol 60 unq 2 iso 1 dist 4.96897 6.96065 5.83937 14.7815 11.2445 8.52121 14.2472 10.9885 9.25011 7.66664 numMergedOcc 0
22 mol 60 unq 2 iso 0 dist 4.96897 6.96065 5.83937 12.177 9.96073 6.43294 14.7815 11.2445 8.52121 5.51199 numMergedOcc 0
23 mol 60 unq 2 iso 1 dist 4.96897 6.96065 5.83937 14.7815 11.2445 8.52121 12.177 9.96073 6.43294 5.51199 numMergedOcc 0
24 mol 61 unq 0 iso 0 dist 6.85094 7.15161 5.92705 10.5531 5.4671 6.65721 13.6393 10.1513 6.72123 6.86346 numMergedOcc 0
25 mol 61 unq 0 iso 1 dist 6.85094 7.15161 5.92705 13.6393 10.1513 6.72123 10.5531 5.4671 6.65721 6.86346 numMergedOcc 0
26 mol 61 unq 1 iso 0 dist 9.94756 18.7183 9.62468 20.4711 10.7369 6.65721 19.7171 11.5608 6.72123 6.86346 numMergedOcc 0
27 mol 61 unq 1 iso 1 dist 9.94756 18.7183 9.62468 19.7171 11.5608 6.72123 20.4711 10.7369 6.65721 6.86346 numMergedOcc 0
28 mol 73 unq 0 iso 0 dist 7.84699 13.4367 6.89722 10.1112 10.4716 9.96396 8.124 5.2774 6.19304 5.4148 numMergedOcc 0
29 mol 73 unq 0 iso 1 dist 7.84699 13.4367 6.89722 8.124 5.2774 6.19304 10.1112 10.4716 9.96396 5.4148 numMergedOcc 0
30 mol 73 unq 1 iso 0 dist 7.84699 13.4367 6.89722 10.1112 10.4716 9.96396 19.5696 13.9156 8.70481 14.9342 numMergedOcc 0
31 mol 73 unq 1 iso 1 dist 7.84699 13.4367 6.89722 19.5696 13.9156 8.70481 10.1112 10.4716 9.96396 14.9342 numMergedOcc 0
32 mol 73 unq 1 iso 0 dist 7.84699 13.4367 6.89722 8.124 5.2774 6.19304 19.5696 13.9156 8.70481 13.3558 numMergedOcc 0
33 mol 73 unq 1 iso 1 dist 7.84699 13.4367 6.89722 19.5696 13.9156 8.70481 8.124 5.2774 6.19304 13.3558 numMergedOcc 0
34 mol 73 unq 2 iso 0 dist 8.40844 13.4367 7.26679 10.1112 8.31041 9.96396 8.124 5.44275 6.19304 5.4148 numMergedOcc 0
35 mol 73 unq 2 iso 1 dist 8.40844 13.4367 7.26679 8.124 5.44275 6.19304 10.1112 8.31041 9.96396 5.4148 numMergedOcc 0
36 mol 73 unq 3 iso 0 dist 8.40844 13.4367 7.26679 10.1112 8.31041 9.96396 19.5696 11.2674 8.70481 14.9342 numMergedOcc 0
37 mol 73 unq 3 iso 1 dist 8.40844 13.4367 7.26679 19.5696 11.2674 8.70481 10.1112 8.31041 9.96396 14.9342 numMergedOcc 0
38 mol 73 unq 3 iso 0 dist 8.40844 13.4367 7.26679 8.124 5.44275 6.19304 19.5696 11.2674 8.70481 13.3558 numMergedOcc 0
39 mol 73 unq 3 iso 1 dist 8.40844 13.4367 7.26679 19.5696 11.2674 8.70481 8.124 5.44275 6.19304 13.3558 numMergedOcc 0
40 mol 73 unq 4 iso 0 dist 7.02351 10.3774 7.26679 11.0108 8.31041 9.96396 10.9082 5.44275 6.19304 5.4148 numMergedOcc 0
41 mol 73 unq 4 iso 1 dist 7.02351 10.3774 7.26679 10.9082 5.44275 6.19304 11.0108 8.31041 9.96396 5.4148 numMergedOcc 0
42 mol 73 unq 5 iso 0 dist 7.02351 10.3774 7.26679 11.0108 8.31041 9.96396 8.16299 11.2674 8.70481 14.9342 numMergedOcc 0
43 mol 73 unq 5 iso 1 dist 7.02351 10.3774 7.26679 8.16299 11.2674 8.70481 11.0108 8.31041 9.96396 14.9342 numMergedOcc 0
44 mol 73 unq 5 iso 0 dist 7.02351 10.3774 7.26679 10.9082 5.44275 6.19304 8.16299 11.2674 8.70481 13.3558 numMergedOcc 0
45 mol 73 unq 5 iso 1 dist 7.02351 10.3774 7.26679 8.16299 11.2674 8.70481 10.9082 5.44275 6.19304 13.3558 numMergedOcc 0
46 mol 73 unq 6 iso 0 dist 7.53504 9.64124 6.89722 16.3948 10.4716 9.96396 11.801 5.2774 6.19304 5.4148 numMergedOcc 0
47 mol 73 unq 6 iso 1 dist 7.53504 9.64124 6.89722 11.801 5.2774 6.19304 16.3948 10.4716 9.96396 5.4148 numMergedOcc 0
48 mol 73 unq 7 iso 0 dist 7.53504 9.64124 6.89722 16.3948 10.4716 9.96396 12.2721 13.9156 8.70481 14.9342 numMergedOcc 0
49 mol 73 unq 7 iso 1 dist 7.53504 9.64124 6.89722 12.2721 13.9156 8.70481 16.3948 10.4716 9.96396 14.9342 numMergedOcc 0
50 mol 73 unq 7 iso 0 dist 7.53504 9.64124 6.89722 11.801 5.2774 6.19304 12.2721 13.9156 8.70481 13.3558 numMergedOcc 0
51 mol 73 unq 7 iso 1 dist 7.53504 9.64124 6.89722 12.2721 13.9156 8.70481 11.801 5.2774 6.19304 13.3558 numMergedOcc 0
52 mol 73 unq 8 iso 0 dist 8.66342 9.64124 7.26679 16.3948 8.31041 9.96396 11.801 5.44275 6.19304 5.4148 numMergedOcc 0
53 mol 73 unq 8 iso 1 dist 8.66342 9.64124 7.26679 11.801 5.44275 6.19304 16.3948 8.31041 9.96396 5.4148 numMergedOcc 0
54 mol 73 unq 9 iso 0 dist 8.66342 9.64124 7.26679 16.3948 8.31041 9.96396 12.2721 11.2674 8.70481 14.9342 numMergedOcc 0
55 mol 73 unq 9 iso 1 dist 8.66342 9.64124 7.26679 12.2721 11.2674 8.70481 16.3948 8.31041 9.96396 14.9342 numMergedOcc 0
56 mol 73 unq 9 iso 0 dist 8.66342 9.64124 7.26679 11.801 5.44275 6.19304 12.2721 11.2674 8.70481 13.3558 numMergedOcc 0
57 mol 73 unq 9 iso 1 dist 8.66342 9.64124 7.26679 12.2721 11.2674 8.70481 11.801 5.44275 6.19304 13.3558 numMergedOcc 0
58 mol 117 unq 0 iso 0 dist 5.24519 5.34484 7.70533 8.81172 6.29427 9.84395 11.6152 14.3476 7.90328 13.1058 numMergedOcc 0
59 mol 117 unq 0 iso 1 dist 5.24519 5.34484 7.70533 11.6152 14.3476 7.90328 8.81172 6.29427 9.84395 13.1058 numMergedOcc 0
60 mol 117 unq 1 iso 0 dist 8.30003 5.21051 9.85576 7.0318 10.4589 7.90328 11.0698 14.2649 7.83136 7.22206 numMergedOcc 0
61 mol 117 unq 1 iso 1 dist 8.30003 5.21051 9.85576 11.0698 14.2649 7.83136 7.0318 10.4589 7.90328 7.22206 numMergedOcc 0
62 mol 117 unq 2 iso 0 dist 8.30003 5.21051 9.85576 7.0318 10.4589 7.90328 10.5123 9.53886 7.0603 9.3584 numMergedOcc 0
63 mol 117 unq 2 iso 1 dist 8.30003 5.21051 9.85576 10.5123 9.53886 7.0603 7.0318 10.4589 7.90328 9.3584 numMergedOcc 0
64 mol 117 unq 2 iso 0 dist 8.30003 5.21051 9.85576 11.0698 14.2649 7.83136 10.5123 9.53886 7.0603 7.21564 numMergedOcc 0
65 mol 117 unq 2 iso 1 dist 8.30003 5.21051 9.85576 10.5123 9.53886 7.0603 11.0698 14.2649 7.83136 7.21564 numMergedOcc 0
66 mol 142 unq 0 iso 0 dist 5.1557 6.01403 7.57458 14.3662 13.1936 9.2313 13.2109 12.288 7.73169 5.50998 numMergedOcc 0
67 mol 142 unq 0 iso 1 dist 5.1557 6.01403 7.57458 13.2109 12.288 7.73169 14.3662 13.1936 9.2313 5.50998 numMergedOcc 0
68 mol 142 unq 1 iso 0 dist 5.1557 6.01403 7.57458 14.3662 13.1936 9.2313 13.7988 14.2067 8.96657 11.1395 numMergedOcc 0
69 mol 142 unq 1 iso 1 dist 5.1557 6.01403 7.57458 13.7988 14.2067 8.96657 14.3662 13.1936 9.2313 11.1395 numMergedOcc 0
70 mol 142 unq 1 iso 0 dist 5.1557 6.01403 7.57458 13.2109 12.288 7.73169 13.7988 14.2067 8.96657 5.92693 numMergedOcc 0
71 mol 142 unq 1 iso 1 dist 5.1557 6.01403 7.57458 13.7988 14.2067 8.96657 13.2109 12.288 7.73169 5.92693 numMergedOcc 0
72 mol 142 unq 2 iso 0 dist 9.5355 8.68855 7.57458 7.15087 13.1936 9.2313 10.5719 12.288 7.73169 5.50998 numMergedOcc 0
73 mol 142 unq 2 iso 1 dist 9.5355 8.68855 7.57458 10.5719 12.288 7.73169 7.15087 13.1936 9.2313 5.50998 numMergedOcc 0
74 mol 142 unq 3 iso 0 dist 9.5355 8.68855 7.57458 7.15087 13.1936 9.2313 15.3413 14.2067 8.96657 11.1395 numMergedOcc 0
75 mol 142 unq 3 iso 1 dist 9.5355 8.68855 7.57458 15.3413 14.2067 8.96657 7.15087 13.1936 9.2313 11.1395 numMergedOcc 0
76 mol 142 unq 3 iso 0 dist 9.5355 8.68855 7.57458 10.5719 12.288 7.73169 15.3413 14.2067 8.96657 5.92693 numMergedOcc 0
77 mol 142 unq 3 iso 1 dist 9.5355 8.68855 7.57458 15.3413 14.2067 8.96657 10.5719 12.288 7.73169 5.92693 numMergedOcc 0
78 mol 152 unq 0 iso 0 dist 8.84852 9.50073 9.10619 15.3848 9.66339 8.56324 16.0753 13.9994 6.70283 7.65448 numMergedOcc 0
79 mol 152 unq 0 iso 1 dist 8.84852 9.50073 9.10619 16.0753 13.9994 6.70283 15.3848 9.66339 8.56324 7.65448 numMergedOcc 0
80 mol 152 unq 1 iso 0 dist 8.84852 9.50073 9.10619 15.3848 9.66339 8.56324 16.0158 14.2552 7.16148 10.6875 numMergedOcc 0
81 mol 152 unq 1 iso 1 dist 8.84852 9.50073 9.10619 16.0158 14.2552 7.16148 15.3848 9.66339 8.56324 10.6875 numMergedOcc 0
82 mol 152 unq 1 iso 0 dist 8.84852 9.50073 9.10619 16.0753 13.9994 6.70283 16.0158 14.2552 7.16148 5.49936 numMergedOcc 0
83 mol 152 unq 1 iso 1 dist 8.84852 9.50073 9.10619 16.0158 14.2552 7.16148 16.0753 13.9994 6.70283 5.49936 numMergedOcc 0
84 mol 156 unq 0 iso 0 dist 6.67598 5.66289 7.30021 9.19499 5.0966 7.44554 7.11647 5.75141 8.94056 5.56175 numMergedOcc 0
85 mol 156 unq 0 iso 1 dist 6.67598 5.66289 7.30021 7.11647 5.75141 8.94056 9.19499 5.0966 7.44554 5.56175 numMergedOcc 0
86 mol 156 unq 1 iso 0 dist 6.67598 5.66289 7.30021 9.19499 5.0966 7.44554 13.581 12.865 9.83699 8.38403 numMergedOcc 0
87 mol 156 unq 1 iso 1 dist 6.67598 5.66289 7.30021 13.581 12.865 9.83699 9.19499 5.0966 7.44554 8.38403 numMergedOcc 0
88 mol 156 unq 1 iso 0 dist 6.67598 5.66289 7.30021 7.11647 5.75141 8.94056 13.581 12.865 9.83699 11.2719 numMergedOcc 0
89 mol 156 unq 1 iso 1 dist 6.67598 5.66289 7.30021 13.581 12.865 9.83699 7.11647 5.75141 8.94056 11.2719 numMergedOcc 0
90 mol 156 unq 2 iso 0 dist 8.34508 12.7636 7.30021 9.97623 5.0966 7.44554 13.465 5.75141 8.94056 5.56175 numMergedOcc 0
91 mol 156 unq 2 iso 1 dist 8.34508 12.7636 7.30021 13.465 5.75141 8.94056 9.97623 5.0966 7.44554 5.56175 numMergedOcc 0
92 mol 156 unq 3 iso 0 dist 8.34508 12.7636 7.30021 9.97623 5.0966 7.44554 16.944 12.865 9.83699 8.38403 numMergedOcc 0
93 mol 156 unq 3 iso 1 dist 8.34508 12.7636 7.30021 16.944 12.865 9.83699 9.97623 5.0966 7.44554 8.38403 numMergedOcc 0
94 mol 156 unq 3 iso 0 dist 8.34508 12.7636 7.30021 13.465 5.75141 8.94056 16.944 12.865 9.83699 11.2719 numMergedOcc 0
95 mol 156 unq 3 iso 1 dist 8.34508 12.7636 7.30021 16.944 12.865 9.83699 13.465 5.75141 8.94056 11.2719 numMergedOcc 0
96 mol 214 unq 0 iso 0 dist 5.69733 5.68711 8.49704 13.6328 12.4611 9.65138 11.6154 11.832 7.14453 9.10746 numMergedOcc 0
97 mol 214 unq 0 iso 1 dist 5.69733 5.68711 8.49704 11.6154 11.832 7.14453 13.6328 12.4611 9.65138 9.10746 numMergedOcc 0
98 mol 214 unq 1 iso 0 dist 5.69733 5.68711 8.49704 13.6328 12.4611 9.65138 11.5105 10.644 8.85478 4.40923 numMergedOcc 0
99 mol 214 unq 1 iso 1 dist 5.69733 5.68711 8.49704 11.5105 10.644 8.85478 13.6328 12.4611 9.65138 4.40923 numMergedOcc 0
100 mol 214 unq 1 iso 0 dist 5.69733 5.68711 8.49704 11.6154 11.832 7.14453 11.5105 10.644 8.85478 11.3796 numMergedOcc 0
101 mol 214 unq 1 iso 1 dist 5.69733 5.68711 8.49704 11.5105 10.644 8.85478 11.6154 11.832 7.14453 11.3796 numMergedOcc 0
102 mol 220 unq 0 iso 0 dist 4.3362 9.20027 7.31105 17.1012 14.6296 9.23153 13.6374 9.52692 8.24498 10.5449 numMergedOcc 0
103 mol 220 unq 0 iso 1 dist 4.3362 9.20027 7.31105 13.6374 9.52692 8.24498 17.1012 14.6296 9.23153 10.5449 numMergedOcc 0
104 mol 222 unq 0 iso 0 dist 7.10689 5.01062 8.7347 8.7419 8.81265 6.00706 8.5834 4.28891 7.54212 6.8425 numMergedOcc 0
105 mol 222 unq 0 iso 1 dist 7.10689 5.01062 8.7347 8.5834 4.28891 7.54212 8.7419 8.81265 6.00706 6.8425 numMergedOcc 0
106 mol 224 unq 0 iso 0 dist 7.7163 10.8463 9.79616 7.07564 5.63485 6.57273 12.0295 9.36962 6.60589 5.0744 numMergedOcc 0
107 mol 224 unq 0 iso 1 dist 7.7163 10.8463 9.79616 12.0295 9.36962 6.60589 7.07564 5.63485 6.57273 5.0744 numMergedOcc 0
108 mol 224 unq 1 iso 0 dist 9.2 5.44863 9.29703 7.07564 4.8786 5.78342 12.0295 7.18448 9.16166 5.0744 numMergedOcc 0
109 mol 224 unq 1 iso 1 dist 9.2 5.44863 9.29703 12.0295 7.18448 9.16166 7.07564 4.8786 5.78342 5.0744 numMergedOcc 0
110 mol 224 unq 2 iso 0 dist 9.2 5.44863 9.29703 7.07564 4.8786 5.78342 9.11052 6.38066 5.81334 5.60236 numMergedOcc 0
111 mol 224 unq 2 iso 1 dist 9.2 5.44863 9.29703 9.11052 6.38066 5.81334 7.07564 4.8786 5.78342 5.60236 numMergedOcc 0
112 mol 224 unq 2 iso 0 dist 9.2 5.44863 9.29703 12.0295 7.18448 9.16166 9.11052 6.38066 5.81334 6.91102 numMergedOcc 0
113 mol 224 unq 2 iso 1 dist 9.2 5.44863 9.29703 9.11052 6.38066 5.81334 12.0295 7.18448 9.16166 6.91102 numMergedOcc 0
114 mol 224 unq 3 iso 0 dist 9.06201 13.0574 9.79616 10.9817 5.63485 6.57273 15.8289 9.36962 6.60589 5.0744 numMergedOcc 0
115 mol 224 unq 3 iso 1 dist 9.06201 13.0574 9.79616 15.8289 9.36962 6.60589 10.9817 5.63485 6.57273 5.0744 numMergedOcc 0
116 mol 227 unq 0 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 12.9898 14.9329 7.22101 6.99063 numMergedOcc 0
117 mol 227 unq 0 iso 1 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 14.1483 16.2594 9.34734 6.99063 numMergedOcc 0
118 mol 227 unq 1 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 14.1659 13.2783 8.65997 7.60506 numMergedOcc 0
119 mol 227 unq 1 iso 1 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 14.1483 16.2594 9.34734 7.60506 numMergedOcc 0
120 mol 227 unq 2 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 9.8971 10.6504 7.56888 7.43198 numMergedOcc 0
121 mol 227 unq 2 iso 1 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 14.1483 16.2594 9.34734 7.43198 numMergedOcc 0
122 mol 227 unq 3 iso 0 dist 7.99145 5.841 9.17826 14.1483 16.2594 9.34734 7.71761 11.4528 7.55216 9.51866 numMergedOcc 0
123 mol 227 unq 3 iso 1 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 14.1483 16.2594 9.34734 9.51866 numMergedOcc 0
124 mol 227 unq 1 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 14.1659 13.2783 8.65997 5.22356 numMergedOcc 0
125 mol 227 unq 1 iso 1 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 12.9898 14.9329 7.22101 5.22356 numMergedOcc 0
126 mol 227 unq 2 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 9.8971 10.6504 7.56888 10.8658 numMergedOcc 0
127 mol 227 unq 2 iso 1 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 12.9898 14.9329 7.22101 10.8658 numMergedOcc 0
128 mol 227 unq 3 iso 0 dist 7.99145 5.841 9.17826 12.9898 14.9329 7.22101 7.71761 11.4528 7.55216 12.4689 numMergedOcc 0
129 mol 227 unq 3 iso 1 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 12.9898 14.9329 7.22101 12.4689 numMergedOcc 0
130 mol 227 unq 2 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 9.8971 10.6504 7.56888 9.70012 numMergedOcc 0
131 mol 227 unq 2 iso 1 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 14.1659 13.2783 8.65997 9.70012 numMergedOcc 0
132 mol 227 unq 3 iso 0 dist 7.99145 5.841 9.17826 14.1659 13.2783 8.65997 7.71761 11.4528 7.55216 12.9332 numMergedOcc 0
133 mol 227 unq 3 iso 1 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 14.1659 13.2783 8.65997 12.9332 numMergedOcc 0
134 mol 227 unq 3 iso 0 dist 7.99145 5.841 9.17826 9.8971 10.6504 7.56888 7.71761 11.4528 7.55216 4.48529 numMergedOcc 0
135 mol 227 unq 3 iso 1 dist 7.99145 5.841 9.17826 7.71761 11.4528 7.55216 9.8971 10.6504 7.56888 4.48529 numMergedOcc 0
136 mol 249 unq 0 iso 0 dist 5.66519 8.68833 7.29898 10.291 6.6173 7.57994 12.7977 8.95486 6.18582 5.01979 numMergedOcc 0
137 mol 249 unq 0 iso 1 dist 5.66519 8.68833 7.29898 12.7977 8.95486 6.18582 10.291 6.6173 7.57994 5.01979 numMergedOcc 0
138 mol 249 unq 1 iso 0 dist 6.50067 8.68833 8.91685 10.291 5.25611 7.57994 12.7977 9.66184 6.18582 5.01979 numMergedOcc 0
139 mol 249 unq 1 iso 1 dist 6.50067 8.68833 8.91685 12.7977 9.66184 6.18582 10.291 5.25611 7.57994 5.01979 numMergedOcc 0
140 mol 252 unq 0 iso 0 dist 8.04265 14.8036 9.73021 19.1239 16.5881 8.33025 15.1557 12.5855 9.2288 8.41807 numMergedOcc 0
141 mol 252 unq 0 iso 1 dist 8.04265 14.8036 9.73021 15.1557 12.5855 9.2288 19.1239 16.5881 8.33025 8.41807 numMergedOcc 0
142 mol 252 unq 1 iso 0 dist 8.04265 14.8036 9.73021 19.1239 16.5881 8.33025 13.0796 5.26867 7.19638 14.9102 numMergedOcc 0
143 mol 252 unq 1 iso 1 dist 8.04265 14.8036 9.73021 13.0796 5.26867 7.19638 19.1239 16.5881 8.33025 14.9102 numMergedOcc 0
144 mol 252 unq 1 iso 0 dist 8.04265 14.8036 9.73021 15.1557 12.5855 9.2288 13.0796 5.26867 7.19638 11.7918 numMergedOcc 0
145 mol 252 unq 1 iso 1 dist 8.04265 14.8036 9.73021 13.0796 5.26867 7.19638 15.1557 12.5855 9.2288 11.7918 numMergedOcc 0
146 mol 252 unq 2 iso 0 dist 9.42193 14.864 9.73021 20.6773 16.5881 8.33025 19.2417 12.5855 9.2288 8.41807 numMergedOcc 0
147 mol 252 unq 2 iso 1 dist 9.42193 14.864 9.73021 19.2417 12.5855 9.2288 20.6773 16.5881 8.33025 8.41807 numMergedOcc 0
148 mol 252 unq 3 iso 0 dist 9.42193 14.864 9.73021 20.6773 16.5881 8.33025 13.4304 5.26867 7.19638 14.9102 numMergedOcc 0
149 mol 252 unq 3 iso 1 dist 9.42193 14.864 9.73021 13.4304 5.26867 7.19638 20.6773 16.5881 8.33025 14.9102 numMergedOcc 0
150 mol 252 unq 3 iso 0 dist 9.42193 14.864 9.73021 19.2417 12.5855 9.2288 13.4304 5.26867 7.19638 11.7918 numMergedOcc 0
151 mol 252 unq 3 iso 1 dist 9.42193 14.864 9.73021 13.4304 5.26867 7.19638 19.2417 12.5855 9.2288 11.7918 numMergedOcc 0
152 mol 258 unq 0 iso 0 dist 6.59521 5.13233 8.58088 10.7821 10.221 6.60405 8.21585 9.22664 6.42289 7.26417 numMergedOcc 0
153 mol 258 unq 0 iso 1 dist 6.59521 5.13233 8.58088 8.21585 9.22664 6.42289 10.7821 10.221 6.60405 7.26417 numMergedOcc 0
154 mol 259 unq 0 iso 0 dist 9.16791 12.4673 6.77279 14.3065 7.55268 8.53687 13.8844 5.71237 8.13497 10.582 numMergedOcc 0
155 mol 259 unq 0 iso 1 dist 9.16791 12.4673 6.77279 13.8844 5.71237 8.13497 14.3065 7.55268 8.53687 10.582 numMergedOcc 0
156 mol 259 unq 1 iso 0 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 18.1068 9.10984 7.84554 4.86771 numMergedOcc 0
157 mol 259 unq 1 iso 1 dist 9.16791 16.6792 9.58006 18.1068 9.10984 7.84554 13.8844 5.71237 7.88519 4.86771 numMergedOcc 0
158 mol 259 unq 2 iso 0 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 18.6945 11.8501 7.46176 6.96053 numMergedOcc 0
159 mol 259 unq 2 iso 1 dist 9.16791 16.6792 9.58006 18.6945 11.8501 7.46176 13.8844 5.71237 7.88519 6.96053 numMergedOcc 0
160 mol 259 unq 3 iso 0 dist 9.16791 16.6792 9.58006 13.8844 5.71237 7.88519 22.9986 13.9868 9.18903 10.4881 numMergedOcc 0
161 mol 259 unq 3 iso 1 dist 9.16791 16.6792 9.58006 22.9986 13.9868 9.18903 13.8844 5.71237 7.88519 10.4881 numMergedOcc 0
162 mol 259 unq 2 iso 0 dist 9.16791 16.6792 9.58006 18.1068 9.10984 7.84554 18.6945 11.8501 7.46176 7.64658 numMergedOcc 0
163 mol 259 unq 2 iso 1 dist 9.16791 16.6792 9.58006 18.6945 11.8501 7.46176 18.1068 9.10984 7.84554 7.64658 numMergedOcc 0
164 mol 259 unq 3 iso 0 dist 9.16791 16.6792 9.58006 18.1068 9.10984 7.84554 22.9986 13.9868 9.18903 5.87173 numMergedOcc 0
165 mol 259 unq 3 iso 1 dist 9.16791 16.6792 9.58006 22.9986 13.9868 9.18903 18.1068 9.10984 7.84554 5.87173 numMergedOcc 0
166 mol 259 unq 3 iso 0 dist 9.16791 16.6792 9.58006 18.6945 11.8501 7.46176 22.9986 13.9868 9.18903 10.5239 numMergedOcc 0
167 mol 259 unq 3 iso 1 dist 9.16791 16.6792 9.58006 22.9986 13.9868 9.18903 18.6945 11.8501 7.46176 10.5239 numMergedOcc 0
168 mol 274 unq 0 iso 0 dist 9.96645 6.04536 9.696 12.1604 10.7962 7.56915 11.4986 5.1874 8.49997 6.33073 numMergedOcc 0
169 mol 274 unq 0 iso 1 dist 9.96645 6.04536 9.696 11.4986 5.1874 8.49997 12.1604 10.7962 7.56915 6.33073 numMergedOcc 0
170 mol 274 unq 1 iso 0 dist 9.2447 6.12463 9.696 12.2117 10.7962 7.56915 10.1296 5.1874 8.49997 6.33073 numMergedOcc 0
171 mol 274 unq 1 iso 1 dist 9.2447 6.12463 9.696 10.1296 5.1874 8.49997 12.2117 10.7962 7.56915 6.33073 numMergedOcc 0
172 mol 276 unq 0 iso 0 dist 7.35537 9.58401 9.05218 12.5562 5.72513 9.8993 13.4249 8.86096 6.87396 6.88557 numMergedOcc 0
173 mol 276 unq 0 iso 1 dist 7.35537 9.58401 9.05218 13.4249 8.86096 6.87396 12.5562 5.72513 9.8993 6.88557 numMergedOcc 0
174 mol 282 unq 0 iso 0 dist 6.40686 4.89059 5.67266 12.7745 9.63727 8.04483 10.161 4.58403 8.76532 10.0156 numMergedOcc 0
175 mol 282 unq 0 iso 1 dist 6.40686 4.89059 5.67266 10.161 4.58403 8.76532 12.7745 9.63727 8.04483 10.0156 numMergedOcc 0
176 mol 282 unq 1 iso 0 dist 6.40686 4.89059 5.67266 12.7745 9.63727 8.04483 9.83042 5.04235 6.33524 5.39891 numMergedOcc 0
177 mol 282 unq 1 iso 1 dist 6.40686 4.89059 5.67266 9.83042 5.04235 6.33524 12.7745 9.63727 8.04483 5.39891 numMergedOcc 0
178 mol 282 unq 1 iso 0 dist 6.40686 4.89059 5.67266 10.161 4.58403 8.76532 9.83042 5.04235 6.33524 4.66602 numMergedOcc 0
179 mol 282 unq 1 iso 1 dist 6.40686 4.89059 5.67266 9.83042 5.04235 6.33524 10.161 4.58403 8.76532 4.66602 numMergedOcc 0
180 mol 282 unq 2 iso 0 dist 7.14443 4.89059 5.80981 12.7745 9.60898 8.04483 10.161 10.5698 8.76532 10.0156 numMergedOcc 0
181 mol 282 unq 2 iso 1 dist 7.14443 4.89059 5.80981 10.161 10.5698 8.76532 12.7745 9.60898 8.04483 10.0156 numMergedOcc 0
182 mol 282 unq 3 iso 0 dist 7.14443 4.89059 5.80981 12.7745 9.60898 8.04483 9.83042 8.37652 6.33524 5.39891 numMergedOcc 0
183 mol 282 unq 3 iso 1 dist 7.14443 4.89059 5.80981 9.83042 8.37652 6.33524 12.7745 9.60898 8.04483 5.39891 numMergedOcc 0
184 mol 282 unq 3 iso 0 dist 7.14443 4.89059 5.80981 10.161 10.5698 8.76532 9.83042 8.37652 6.33524 4.66602 numMergedOcc 0
185 mol 282 unq 3 iso 1 dist 7.14443 4.89059 5.80981 9.83042 8.37652 6.33524 10.161 10.5698 8.76532 4.66602 numMergedOcc 0
