0 mol 11 unq 0 iso 0 dist 5.47299 5.19841 4.79838 7.27588 6.83186 3.56133 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.40468 5.11518 5.25331 7.16699 6.83186 3.66215 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.55284 11.3794 7.02387 6.25072 5.54472 6.14049 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 9.55284 11.3794 7.02387 3.72926 8.62369 8.31625 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 9.55284 11.3794 7.02387 8.48678 6.5241 10.1271 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 9.55284 9.78889 4.74786 6.25072 5.54472 7.13338 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 9.55284 9.78889 4.74786 3.72926 8.62369 8.64653 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 9.55284 9.78889 4.74786 8.48678 6.5241 4.28224 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 7.33788 5.52962 6.11249 7.0331 8.96151 5.67204 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 7.33788 5.52962 6.11249 3.85292 4.22002 4.28224 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 7.36877 9.32024 7.02387 6.64874 5.54472 6.14049 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 7.36877 9.32024 7.02387 5.68077 8.62369 8.31625 numMergedOcc 0
12 mol 48 unq 10 iso 0 dist 7.36877 9.32024 7.02387 3.85292 6.5241 10.1271 numMergedOcc 0
13 mol 48 unq 11 iso 0 dist 7.36877 5.52962 4.74786 6.64874 5.54472 7.13338 numMergedOcc 0
14 mol 48 unq 12 iso 0 dist 7.36877 5.52962 4.74786 5.68077 8.62369 8.64653 numMergedOcc 0
15 mol 48 unq 13 iso 0 dist 7.36877 5.52962 4.74786 3.85292 6.5241 4.28224 numMergedOcc 0
16 mol 48 unq 14 iso 0 dist 8.52681 10.1477 6.11249 10.4499 8.96151 5.67204 numMergedOcc 0
17 mol 48 unq 15 iso 0 dist 8.52681 10.1477 6.11249 6.44604 4.22002 4.28224 numMergedOcc 0
18 mol 48 unq 16 iso 0 dist 6.89752 5.20585 4.53565 6.42565 5.37439 7.08546 numMergedOcc 0
19 mol 48 unq 17 iso 0 dist 6.89752 5.20585 4.53565 5.7824 8.3714 8.61607 numMergedOcc 0
20 mol 48 unq 18 iso 0 dist 6.89752 5.20585 4.53565 3.72746 6.36817 4.12075 numMergedOcc 0
21 mol 48 unq 19 iso 0 dist 6.85843 5.20585 6.15814 3.72746 4.17933 4.12075 numMergedOcc 0
22 mol 48 unq 20 iso 0 dist 7.94814 9.98618 6.15814 6.4561 4.17933 4.12075 numMergedOcc 0
23 mol 48 unq 21 iso 0 dist 9.55632 9.98618 7.70284 6.4561 5.54893 4.12075 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 8.67342 13.9882 5.61151 4.8069 6.67137 10.803 numMergedOcc 0
25 mol 85 unq 1 iso 0 dist 8.67342 13.9882 5.61151 18.1303 9.78707 5.49707 numMergedOcc 0
26 mol 85 unq 2 iso 0 dist 8.60062 13.9882 6.54289 11.1042 7.07839 11.6623 numMergedOcc 0
27 mol 85 unq 3 iso 0 dist 8.60062 13.9882 6.54289 7.55572 9.09711 15.6048 numMergedOcc 0
28 mol 85 unq 4 iso 0 dist 8.60062 13.9882 6.54289 4.8069 7.04244 10.803 numMergedOcc 0
29 mol 85 unq 5 iso 0 dist 8.60062 13.9882 6.54289 10.9585 7.91193 13.4097 numMergedOcc 0
30 mol 85 unq 6 iso 0 dist 8.60062 13.9882 6.54289 18.1303 9.63449 5.49707 numMergedOcc 0
31 mol 85 unq 7 iso 0 dist 8.60062 12.4238 7.52869 11.1042 7.07839 4.86391 numMergedOcc 0
32 mol 85 unq 8 iso 0 dist 8.60062 12.4238 7.52869 7.55572 9.09711 11.6463 numMergedOcc 0
33 mol 85 unq 9 iso 0 dist 8.60062 12.4238 7.52869 4.8069 7.04244 9.46256 numMergedOcc 0
34 mol 85 unq 10 iso 0 dist 8.60062 12.4238 7.52869 18.1303 9.63449 11.3191 numMergedOcc 0
35 mol 85 unq 11 iso 0 dist 8.60062 12.4238 7.52869 10.9585 7.91193 8.06224 numMergedOcc 0
36 mol 85 unq 12 iso 0 dist 8.60062 10.5359 9.18945 11.1042 7.07839 9.18879 numMergedOcc 0
37 mol 85 unq 13 iso 0 dist 8.60062 10.5359 9.18945 7.55572 9.09711 13.1591 numMergedOcc 0
38 mol 85 unq 14 iso 0 dist 8.60062 10.5359 9.18945 4.8069 7.04244 6.34431 numMergedOcc 0
39 mol 85 unq 15 iso 0 dist 8.60062 10.5359 9.18945 18.1303 9.63449 14.7195 numMergedOcc 0
40 mol 85 unq 16 iso 0 dist 8.60062 10.5359 9.18945 10.9585 7.91193 11.8663 numMergedOcc 0
41 mol 85 unq 17 iso 0 dist 5.73739 10.1326 5.61151 10.0178 6.67137 10.803 numMergedOcc 0
42 mol 85 unq 18 iso 0 dist 5.73739 10.1326 5.61151 12.1664 9.78707 5.49707 numMergedOcc 0
43 mol 85 unq 19 iso 0 dist 5.16225 10.1326 6.54289 10.0529 7.07839 11.6623 numMergedOcc 0
44 mol 85 unq 20 iso 0 dist 5.16225 10.1326 6.54289 8.41797 9.09711 15.6048 numMergedOcc 0
45 mol 85 unq 21 iso 0 dist 5.16225 10.1326 6.54289 10.0178 7.04244 10.803 numMergedOcc 0
46 mol 85 unq 22 iso 0 dist 5.16225 10.1326 6.54289 9.0874 7.91193 13.4097 numMergedOcc 0
47 mol 85 unq 23 iso 0 dist 5.16225 10.1326 6.54289 12.1664 9.63449 5.49707 numMergedOcc 0
48 mol 85 unq 24 iso 0 dist 5.16225 12.2156 7.52869 10.0529 7.07839 4.86391 numMergedOcc 0
49 mol 85 unq 25 iso 0 dist 5.16225 12.2156 7.52869 8.41797 9.09711 11.6463 numMergedOcc 0
50 mol 85 unq 26 iso 0 dist 5.16225 12.2156 7.52869 10.0178 7.04244 9.46256 numMergedOcc 0
51 mol 85 unq 27 iso 0 dist 5.16225 12.2156 7.52869 12.1664 9.63449 11.3191 numMergedOcc 0
52 mol 85 unq 28 iso 0 dist 5.16225 12.2156 7.52869 9.0874 7.91193 8.06224 numMergedOcc 0
53 mol 85 unq 29 iso 0 dist 5.16225 13.9131 9.18945 10.0529 7.07839 9.18879 numMergedOcc 0
54 mol 85 unq 30 iso 0 dist 5.16225 13.9131 9.18945 8.41797 9.09711 13.1591 numMergedOcc 0
55 mol 85 unq 31 iso 0 dist 5.16225 13.9131 9.18945 10.0178 7.04244 6.34431 numMergedOcc 0
56 mol 85 unq 32 iso 0 dist 5.16225 13.9131 9.18945 12.1664 9.63449 14.7195 numMergedOcc 0
57 mol 85 unq 33 iso 0 dist 5.16225 13.9131 9.18945 9.0874 7.91193 11.8663 numMergedOcc 0
58 mol 101 unq 0 iso 0 dist 7.33426 4.09052 8.35515 9.71802 8.19144 11.7377 numMergedOcc 0
59 mol 101 unq 1 iso 0 dist 8.17175 10.95 8.35515 4.97717 8.19144 11.7377 numMergedOcc 0
60 mol 143 unq 0 iso 0 dist 6.38786 6.60792 8.08798 3.66518 4.3855 4.19541 numMergedOcc 0
61 mol 225 unq 0 iso 0 dist 6.35772 5.21366 8.9632 11.0751 9.54529 8.74865 numMergedOcc 0
62 mol 254 unq 0 iso 0 dist 9.83135 9.57602 6.59989 9.22906 7.85841 4.84855 numMergedOcc 0
63 mol 254 unq 1 iso 0 dist 9.83135 9.57602 6.59989 12.319 9.20109 5.67608 numMergedOcc 0
64 mol 254 unq 2 iso 0 dist 7.40957 4.78931 6.12653 9.72134 9.20109 6.19835 numMergedOcc 0
65 mol 260 unq 0 iso 0 dist 4.76164 9.42262 8.8385 9.45061 8.62655 11.4575 numMergedOcc 0
66 mol 266 unq 0 iso 0 dist 7.74133 4.5986 9.6721 13.3554 6.96692 16.2268 numMergedOcc 0
67 mol 266 unq 1 iso 0 dist 7.74133 4.5986 9.6721 15.2892 8.25286 16.7453 numMergedOcc 0
68 mol 266 unq 2 iso 0 dist 7.74133 4.5986 9.6721 16.6916 9.9965 17.4207 numMergedOcc 0
69 mol 277 unq 0 iso 0 dist 9.07744 6.20663 9.62597 9.21484 7.98956 13.6468 numMergedOcc 0
70 mol 277 unq 1 iso 0 dist 9.07744 6.20663 9.62597 10.3506 5.86185 13.3297 numMergedOcc 0
71 mol 277 unq 2 iso 0 dist 9.07744 6.20663 9.62597 10.4629 6.79748 6.51854 numMergedOcc 0
72 mol 277 unq 3 iso 0 dist 8.42892 14.2261 9.62597 7.73174 7.98956 13.6468 numMergedOcc 0
73 mol 277 unq 4 iso 0 dist 8.42892 14.2261 9.62597 5.42115 5.86185 13.3297 numMergedOcc 0
74 mol 277 unq 5 iso 0 dist 8.42892 14.2261 9.62597 12.6492 6.79748 6.51854 numMergedOcc 0
75 mol 277 unq 6 iso 0 dist 8.90967 12.0017 9.62597 16.883 7.98956 13.6468 numMergedOcc 0
76 mol 277 unq 7 iso 0 dist 8.90967 12.0017 9.62597 14.5363 5.86185 13.3297 numMergedOcc 0
77 mol 277 unq 8 iso 0 dist 8.90967 12.0017 9.62597 5.91105 6.79748 6.51854 numMergedOcc 0
78 mol 281 unq 0 iso 0 dist 9.39268 5.96808 9.94612 12.4082 7.90368 14.4804 numMergedOcc 0
79 mol 281 unq 1 iso 0 dist 9.39268 5.96808 9.94612 10.4439 6.69267 6.83942 numMergedOcc 0
80 mol 281 unq 2 iso 0 dist 9.06888 12.6605 9.94612 15.8562 7.90368 14.4804 numMergedOcc 0
81 mol 281 unq 3 iso 0 dist 9.06888 12.6605 9.94612 6.28551 6.69267 6.83942 numMergedOcc 0
82 mol 287 unq 0 iso 0 dist 5.44942 9.9901 7.1388 5.1451 6.24487 7.45064 numMergedOcc 0
83 mol 287 unq 1 iso 0 dist 8.53689 9.62921 7.1388 7.5241 6.24487 7.45064 numMergedOcc 0
84 mol 287 unq 2 iso 0 dist 7.82157 9.74355 7.1388 5.15725 6.24487 7.45064 numMergedOcc 0
85 mol 288 unq 0 iso 0 dist 5.44942 9.9901 7.1388 5.1451 6.24487 7.45064 numMergedOcc 0
86 mol 288 unq 1 iso 0 dist 8.53689 9.62921 7.1388 7.5241 6.24487 7.45064 numMergedOcc 0
87 mol 288 unq 2 iso 0 dist 7.82157 9.74355 7.1388 5.15725 6.24487 7.45064 numMergedOcc 0
88 mol 289 unq 0 iso 0 dist 5.44942 9.9901 7.1388 5.1451 6.24487 7.45064 numMergedOcc 0
89 mol 289 unq 1 iso 0 dist 8.53689 9.62921 7.1388 7.5241 6.24487 7.45064 numMergedOcc 0
90 mol 289 unq 2 iso 0 dist 7.82157 9.74355 7.1388 5.15725 6.24487 7.45064 numMergedOcc 0
