0 mol 20 unq 0 iso 0 dist 9.98157 12.9008 8.26091 10.1466 3.59314 8.72342 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.11382 11.1055 8.25818 8.7263 9.63925 7.85986 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 9.56722 10.0008 7.08766 18.0728 10.8722 8.69709 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 7.68019 5.29955 4.75881 10.2677 8.00615 7.37118 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 5.81662 3.8412 3.77542 8.79504 3.57198 5.53419 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.48328 8.11968 8.65524 8.31952 10.8889 7.20729 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 6.77802 3.42062 9.05737 8.16033 3.85506 9.42099 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 9.07283 5.7037 9.05737 10.1237 7.06935 8.40186 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 6.29267 6.02092 4.15789 10.2613 6.07693 8.84225 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 6.29267 6.02092 4.15789 11.3221 5.25584 6.72546 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 6.56288 7.14242 6.67137 10.6441 5.22259 8.04853 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 5.97559 7.14242 7.04244 10.6441 7.66499 8.04853 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 8.15861 3.81285 6.67137 12.1571 13.6534 9.13593 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 8.15861 6.17121 7.04244 12.1571 13.6534 8.25144 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 8.23294 3.27874 5.20429 7.24843 5.01255 5.56839 numMergedOcc 0
15 mol 93 unq 1 iso 0 dist 8.23294 3.27874 5.20429 7.63783 8.98901 7.83506 numMergedOcc 0
16 mol 93 unq 2 iso 0 dist 8.2702 3.27874 8.71366 7.24843 9.11323 5.56839 numMergedOcc 0
17 mol 93 unq 3 iso 0 dist 8.2702 3.27874 8.71366 7.63783 8.52329 7.83506 numMergedOcc 0
18 mol 111 unq 0 iso 0 dist 8.51084 7.42165 4.91212 16.5492 8.83426 9.72371 numMergedOcc 0
19 mol 111 unq 1 iso 0 dist 5.53271 7.42165 9.34782 16.5492 16.815 9.72371 numMergedOcc 0
20 mol 113 unq 0 iso 0 dist 9.44 12.8761 5.31126 15.3806 6.29259 7.40338 numMergedOcc 0
21 mol 113 unq 1 iso 0 dist 9.44 12.8761 5.31126 17.2791 8.17309 6.23759 numMergedOcc 0
22 mol 113 unq 2 iso 0 dist 8.47634 12.8761 7.16619 15.3806 7.08122 7.40338 numMergedOcc 0
23 mol 113 unq 3 iso 0 dist 8.47634 12.8761 7.16619 17.2791 9.30967 6.23759 numMergedOcc 0
24 mol 123 unq 0 iso 0 dist 9.72421 3.50983 8.78115 11.2105 4.10526 9.42762 numMergedOcc 0
25 mol 123 unq 1 iso 0 dist 9.72421 11.8396 8.03692 11.2105 4.10526 7.30244 numMergedOcc 0
26 mol 123 unq 2 iso 0 dist 8.09682 3.61945 5.56127 7.36361 7.88813 7.30244 numMergedOcc 0
27 mol 123 unq 3 iso 0 dist 8.35926 5.85997 8.78115 7.36361 4.10526 9.42762 numMergedOcc 0
28 mol 123 unq 4 iso 0 dist 8.35926 3.61945 8.03692 7.36361 4.10526 7.30244 numMergedOcc 0
29 mol 123 unq 5 iso 0 dist 7.41568 3.61945 5.36214 7.36361 12.6384 7.30244 numMergedOcc 0
30 mol 141 unq 0 iso 0 dist 8.14978 9.809 4.88514 10.6158 3.80087 4.92382 numMergedOcc 0
31 mol 194 unq 0 iso 0 dist 4.55528 4.02402 5.10542 7.71806 3.7326 8.43182 numMergedOcc 0
32 mol 194 unq 1 iso 0 dist 4.42095 4.02402 4.68722 7.71806 7.29209 8.43182 numMergedOcc 0
33 mol 194 unq 2 iso 0 dist 6.88386 8.31549 5.10542 9.59959 3.7326 8.43182 numMergedOcc 0
34 mol 194 unq 3 iso 0 dist 4.63898 8.31549 4.68722 9.59959 7.29209 8.43182 numMergedOcc 0
35 mol 194 unq 4 iso 0 dist 9.53641 7.40457 4.68722 15.4481 7.29209 8.43182 numMergedOcc 0
36 mol 260 unq 0 iso 0 dist 9.11501 9.99682 7.04263 9.64217 3.60349 6.12343 numMergedOcc 0
37 mol 260 unq 1 iso 0 dist 9.11501 7.52009 6.48099 9.64217 3.60349 4.52405 numMergedOcc 0
38 mol 281 unq 0 iso 0 dist 7.43535 3.86368 7.90368 6.67593 3.78169 6.18742 numMergedOcc 0
39 mol 287 unq 0 iso 0 dist 8.4625 11.4589 4.68668 16.4834 9.88575 8.58427 numMergedOcc 0
40 mol 287 unq 1 iso 0 dist 9.14217 9.84883 4.68668 13.2024 5.39801 9.25759 numMergedOcc 0
41 mol 288 unq 0 iso 0 dist 8.4625 11.4589 4.68668 16.4834 9.88575 8.58427 numMergedOcc 0
42 mol 288 unq 1 iso 0 dist 9.14217 9.84883 4.68668 13.2024 5.39801 9.25759 numMergedOcc 0
43 mol 289 unq 0 iso 0 dist 8.4625 11.4589 4.68668 16.4834 9.88575 8.58427 numMergedOcc 0
44 mol 289 unq 1 iso 0 dist 9.14217 9.84883 4.68668 13.2024 5.39801 9.25759 numMergedOcc 0
