0 mol 7 unq 0 iso 0 dist 8.77648 9.28571 8.4061 15.7038 16.2804 8.05125 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.0323 8.05125 5.96526 15.7038 12.0771 9.28571 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 8.70005 9.05939 6.20881 10.5266 10.79 8.24422 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 8.70005 9.38747 11.4016 10.5266 10.79 8.99724 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 9.17591 7.13608 6.97536 13.7123 16.3601 9.46895 numMergedOcc 0
5 mol 32 unq 1 iso 0 dist 7.12013 9.46895 8.79217 13.7123 15.2557 7.13608 numMergedOcc 0
6 mol 55 unq 0 iso 0 dist 9.3239 8.03504 4.60627 9.40104 8.34632 7.87739 numMergedOcc 0
7 mol 55 unq 1 iso 0 dist 8.34632 7.87739 4.60627 9.40104 9.3239 8.03504 numMergedOcc 0
8 mol 55 unq 2 iso 0 dist 5.62629 7.87739 5.55161 9.40104 11.447 8.03504 numMergedOcc 0
9 mol 56 unq 0 iso 0 dist 9.49909 8.0757 4.98324 8.97054 8.37022 9.8958 numMergedOcc 0
10 mol 56 unq 1 iso 0 dist 8.37022 9.8958 4.98324 8.97054 9.49909 8.0757 numMergedOcc 0
11 mol 71 unq 0 iso 0 dist 4.87423 7.12853 5.01302 3.843 4.76283 6.14513 numMergedOcc 0
12 mol 71 unq 1 iso 0 dist 4.76283 6.14513 5.01302 3.843 4.87423 7.12853 numMergedOcc 0
13 mol 71 unq 2 iso 0 dist 7.75237 7.12853 9.08204 3.843 10.8022 6.14513 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 7.02351 6.7939 5.4653 12.5626 13.9009 8.44695 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 7.02351 6.7939 5.4653 12.3241 8.66342 5.68894 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 7.02351 6.85356 4.63063 12.3241 8.66342 7.32265 numMergedOcc 0
17 mol 73 unq 3 iso 0 dist 7.53504 5.68894 7.92924 12.3241 12.1654 6.7939 numMergedOcc 0
18 mol 73 unq 4 iso 0 dist 7.53504 5.68894 7.92924 9.3197 15.154 8.44695 numMergedOcc 0
19 mol 73 unq 5 iso 0 dist 7.53504 7.32265 8.30433 12.3241 12.1654 6.85356 numMergedOcc 0
20 mol 73 unq 6 iso 0 dist 8.66342 5.68894 5.4653 12.3241 7.02351 6.7939 numMergedOcc 0
21 mol 73 unq 7 iso 0 dist 8.66342 5.68894 5.4653 9.3197 13.9009 8.44695 numMergedOcc 0
22 mol 73 unq 8 iso 0 dist 8.66342 7.32265 4.63063 12.3241 7.02351 6.85356 numMergedOcc 0
23 mol 73 unq 9 iso 0 dist 7.21285 5.68894 7.09483 12.3241 10.4593 6.7939 numMergedOcc 0
24 mol 73 unq 10 iso 0 dist 7.21285 5.68894 7.09483 9.3197 14.8104 8.44695 numMergedOcc 0
25 mol 73 unq 11 iso 0 dist 7.21285 7.32265 4.68175 12.3241 10.4593 6.85356 numMergedOcc 0
26 mol 73 unq 12 iso 0 dist 6.95094 5.68894 11.341 12.3241 16.7273 6.7939 numMergedOcc 0
27 mol 73 unq 13 iso 0 dist 6.95094 5.68894 11.341 9.3197 15.6303 8.44695 numMergedOcc 0
28 mol 73 unq 14 iso 0 dist 6.95094 7.32265 10.0459 12.3241 16.7273 6.85356 numMergedOcc 0
29 mol 98 unq 0 iso 0 dist 8.87856 6.62952 11.2334 5.4823 11.3126 4.3521 numMergedOcc 0
30 mol 98 unq 1 iso 0 dist 6.2491 6.62952 7.89992 5.4823 3.59451 4.3521 numMergedOcc 0
31 mol 98 unq 2 iso 0 dist 3.59451 4.3521 7.89992 5.4823 6.2491 6.62952 numMergedOcc 0
32 mol 98 unq 3 iso 0 dist 8.26758 4.7588 5.33623 3.39244 10.1377 7.14505 numMergedOcc 0
33 mol 99 unq 0 iso 0 dist 8.23566 9.39801 12.5118 4.8794 11.1962 6.02154 numMergedOcc 0
34 mol 99 unq 1 iso 0 dist 8.23566 4.82346 4.74328 4.8794 11.1962 8.07233 numMergedOcc 0
35 mol 101 unq 0 iso 0 dist 9.1109 7.11476 4.39441 6.21457 12.68 9.60223 numMergedOcc 0
36 mol 101 unq 1 iso 0 dist 5.51185 7.11476 4.84084 6.21457 10.3452 9.60223 numMergedOcc 0
37 mol 104 unq 0 iso 0 dist 8.53028 7.32917 12.6757 5.26833 11.6564 8.84844 numMergedOcc 0
38 mol 118 unq 0 iso 0 dist 8.27853 9.9757 7.55669 5.92414 11.2618 9.4627 numMergedOcc 0
39 mol 122 unq 0 iso 0 dist 9.21665 8.68384 13.4677 7.69764 14.791 9.00365 numMergedOcc 0
40 mol 122 unq 1 iso 0 dist 9.80092 9.00365 7.687 7.69764 14.2336 8.68384 numMergedOcc 0
41 mol 125 unq 0 iso 0 dist 6.6081 8.75402 4.77979 10.6764 9.64304 8.48363 numMergedOcc 0
42 mol 125 unq 1 iso 0 dist 9.64304 8.48363 4.77979 10.6764 6.6081 8.75402 numMergedOcc 0
43 mol 133 unq 0 iso 0 dist 6.89564 9.82274 5.32245 10.1263 11.7472 9.02712 numMergedOcc 0
44 mol 134 unq 0 iso 0 dist 6.4922 8.15734 6.69705 10.0801 11.8716 6.00896 numMergedOcc 0
45 mol 134 unq 1 iso 0 dist 7.94564 6.00896 6.01484 10.0801 14.1149 8.15734 numMergedOcc 0
46 mol 134 unq 2 iso 0 dist 9.21999 6.00896 10.6104 10.0801 18.1155 8.15734 numMergedOcc 0
47 mol 156 unq 0 iso 0 dist 6.47989 5.50879 4.68339 11.1396 9.91857 6.69157 numMergedOcc 0
48 mol 193 unq 0 iso 0 dist 9.16852 7.71716 3.53549 13.1729 5.19654 8.71993 numMergedOcc 0
49 mol 193 unq 1 iso 0 dist 5.19654 8.71993 3.53549 13.1729 9.16852 7.71716 numMergedOcc 0
50 mol 205 unq 0 iso 0 dist 8.21112 6.02053 8.82544 4.4482 7.06533 7.41663 numMergedOcc 0
51 mol 205 unq 1 iso 0 dist 7.06533 7.41663 8.82544 4.4482 8.21112 6.02053 numMergedOcc 0
52 mol 209 unq 0 iso 0 dist 8.65539 6.74526 6.04843 5.1282 12.8755 8.68691 numMergedOcc 0
53 mol 209 unq 1 iso 0 dist 8.65539 8.12326 10.2501 5.1282 12.8755 7.37014 numMergedOcc 0
54 mol 209 unq 2 iso 0 dist 8.65539 8.12326 10.2501 9.5473 16.3357 8.20431 numMergedOcc 0
55 mol 209 unq 3 iso 0 dist 7.757 8.20431 5.86856 9.5473 12.9945 8.12326 numMergedOcc 0
56 mol 209 unq 4 iso 0 dist 7.757 8.20431 5.86856 5.35106 10.2873 7.37014 numMergedOcc 0
57 mol 209 unq 5 iso 0 dist 7.757 8.8886 8.13817 6.11542 9.56015 8.78565 numMergedOcc 0
58 mol 209 unq 6 iso 0 dist 9.56015 8.78565 8.13817 6.11542 7.757 8.8886 numMergedOcc 0
59 mol 210 unq 0 iso 0 dist 7.68078 8.94889 12.3142 8.21472 14.5232 8.50367 numMergedOcc 0
60 mol 210 unq 1 iso 0 dist 9.26518 8.94889 13.7365 8.21472 14.1507 8.50367 numMergedOcc 0
61 mol 211 unq 0 iso 0 dist 9.45365 8.66183 13.6185 5.61401 14.6156 9.26774 numMergedOcc 0
62 mol 211 unq 1 iso 0 dist 7.14732 8.66183 4.53525 5.61401 10.2532 9.26774 numMergedOcc 0
63 mol 220 unq 0 iso 0 dist 9.74776 9.984 8.70221 10.3111 13.5453 8.08702 numMergedOcc 0
64 mol 220 unq 1 iso 0 dist 9.56271 8.08702 4.56028 10.3111 14.3572 9.984 numMergedOcc 0
65 mol 223 unq 0 iso 0 dist 9.86372 7.76053 8.36102 7.55127 15.8519 9.65728 numMergedOcc 0
66 mol 223 unq 1 iso 0 dist 7.70946 7.76053 5.43913 7.55127 12.2562 9.65728 numMergedOcc 0
67 mol 226 unq 0 iso 0 dist 9.05082 8.24741 12.3913 8.0668 15.1102 5.07958 numMergedOcc 0
68 mol 226 unq 1 iso 0 dist 9.05082 8.24741 12.3913 12.401 12.6814 6.19519 numMergedOcc 0
69 mol 230 unq 0 iso 0 dist 5.00735 9.32781 4.85368 10.6003 9.27643 7.66323 numMergedOcc 0
70 mol 230 unq 1 iso 0 dist 9.27643 7.66323 4.85368 10.6003 5.00735 9.32781 numMergedOcc 0
71 mol 230 unq 2 iso 0 dist 6.73755 9.32781 7.91665 10.6003 12.9267 7.66323 numMergedOcc 0
72 mol 239 unq 0 iso 0 dist 8.33254 8.92121 11.8831 7.19561 13.9272 9.95252 numMergedOcc 0
73 mol 261 unq 0 iso 0 dist 8.64393 6.99444 7.70154 10.4134 16.2083 9.38192 numMergedOcc 0
74 mol 267 unq 0 iso 0 dist 5.32643 6.79491 9.17078 7.06028 11.366 5.72144 numMergedOcc 0
75 mol 273 unq 0 iso 0 dist 9.36052 7.84151 10.402 6.91672 13.5125 7.346 numMergedOcc 0
76 mol 277 unq 0 iso 0 dist 8.83777 6.40125 6.08499 11.8204 12.7326 7.25282 numMergedOcc 0
77 mol 277 unq 1 iso 0 dist 9.42812 6.40125 10.3278 11.8204 15.5229 7.25282 numMergedOcc 0
78 mol 279 unq 0 iso 0 dist 8.87355 8.52827 10.2078 7.00034 8.18179 7.14122 numMergedOcc 0
79 mol 279 unq 1 iso 0 dist 8.18179 7.14122 10.2078 7.00034 8.87355 8.52827 numMergedOcc 0
80 mol 279 unq 2 iso 0 dist 7.45556 7.14122 4.8005 7.00034 12.022 8.52827 numMergedOcc 0
81 mol 279 unq 3 iso 0 dist 5.25218 7.14122 8.61009 7.00034 12.0184 8.52827 numMergedOcc 0
82 mol 281 unq 0 iso 0 dist 9.61122 6.47753 10.2905 4.37277 9.95684 9.69744 numMergedOcc 0
83 mol 281 unq 1 iso 0 dist 9.95684 9.69744 10.2905 4.37277 9.61122 6.47753 numMergedOcc 0
