0 mol 8 unq 0 iso 0 dist 8.94096 14.5611 7.12263 12.7056 8.77457 7.35217 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.94096 6.69972 5.00267 12.7056 8.77457 11.1833 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 9.07858 12.9762 7.12263 16.8602 8.77457 7.35217 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 9.07858 6.3125 5.00267 16.8602 8.77457 11.1833 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.82483 10.4204 5.55437 6.0397 8.076 7.28672 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 7.25684 7.77807 5.38458 5.77558 9.3523 5.93982 numMergedOcc 0
6 mol 9 unq 2 iso 0 dist 8.22285 6.93413 5.38458 10.5584 9.3523 5.93982 numMergedOcc 0
7 mol 13 unq 0 iso 0 dist 8.00865 7.65383 9.10587 15.907 7.98679 15.0583 numMergedOcc 0
8 mol 13 unq 1 iso 0 dist 9.11447 8.58799 9.10587 15.0129 7.98679 15.0583 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 8.62284 11.3767 9.38831 5.90981 9.69752 10.025 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 8.62284 11.3767 9.38831 13.719 9.36461 6.99746 numMergedOcc 0
11 mol 34 unq 0 iso 0 dist 6.93364 11.952 8.63361 6.45654 6.15801 5.89577 numMergedOcc 0
12 mol 34 unq 1 iso 0 dist 6.93364 11.952 8.63361 11.9626 9.63403 6.62645 numMergedOcc 0
13 mol 34 unq 2 iso 0 dist 6.93364 11.952 8.63361 14.1223 8.07314 6.27366 numMergedOcc 0
14 mol 34 unq 3 iso 0 dist 6.34821 11.0362 8.63361 7.35043 6.15801 5.89577 numMergedOcc 0
15 mol 34 unq 4 iso 0 dist 6.34821 11.0362 8.63361 13.4874 9.63403 6.62645 numMergedOcc 0
16 mol 34 unq 5 iso 0 dist 6.34821 11.0362 8.63361 12.0754 8.07314 6.27366 numMergedOcc 0
17 mol 90 unq 0 iso 0 dist 7.54496 10.2107 7.51138 4.48233 7.31784 8.39589 numMergedOcc 0
18 mol 90 unq 1 iso 0 dist 7.54496 10.6903 9.86843 4.48233 7.31784 6.30226 numMergedOcc 0
19 mol 90 unq 2 iso 0 dist 7.54496 10.968 6.86146 4.48233 7.31784 7.57639 numMergedOcc 0
20 mol 90 unq 3 iso 0 dist 7.54496 5.69605 8.83296 4.48233 7.31784 4.215 numMergedOcc 0
21 mol 92 unq 0 iso 0 dist 9.20197 4.35316 8.03028 10.7055 8.57827 12.6909 numMergedOcc 0
22 mol 92 unq 1 iso 0 dist 9.20197 4.35316 8.03028 6.91947 7.94453 7.57205 numMergedOcc 0
23 mol 92 unq 2 iso 0 dist 9.20197 10.4552 7.39754 10.7055 8.57827 15.1698 numMergedOcc 0
24 mol 92 unq 3 iso 0 dist 9.20197 10.4552 7.39754 6.91947 7.94453 6.82081 numMergedOcc 0
25 mol 92 unq 4 iso 0 dist 8.30176 4.94804 7.39754 5.54732 8.29345 5.8102 numMergedOcc 0
26 mol 92 unq 5 iso 0 dist 8.30176 4.76302 9.01011 5.54732 8.29345 9.98219 numMergedOcc 0
27 mol 93 unq 0 iso 0 dist 7.85041 9.97157 5.51624 6.957 7.62611 11.4196 numMergedOcc 0
28 mol 93 unq 1 iso 0 dist 7.85041 8.01991 7.8674 6.957 7.62611 8.05783 numMergedOcc 0
29 mol 131 unq 0 iso 0 dist 9.39683 12.4067 7.76594 10.8622 5.44303 5.67023 numMergedOcc 0
30 mol 131 unq 1 iso 0 dist 9.39683 12.4067 7.76594 12.6448 8.50562 10.9757 numMergedOcc 0
31 mol 147 unq 0 iso 0 dist 5.1101 6.29593 9.23528 10.7872 7.25644 15.9875 numMergedOcc 0
32 mol 147 unq 1 iso 0 dist 7.01133 11.2831 9.23528 7.66774 7.25644 15.9875 numMergedOcc 0
33 mol 154 unq 0 iso 0 dist 9.47362 5.63464 9.71408 12.7281 6.51014 9.78297 numMergedOcc 0
34 mol 154 unq 1 iso 0 dist 6.28417 13.5582 9.71408 4.70993 6.51014 9.78297 numMergedOcc 0
35 mol 163 unq 0 iso 0 dist 5.92747 8.26893 8.23605 6.84883 7.8639 4.12188 numMergedOcc 0
36 mol 163 unq 1 iso 0 dist 8.21476 9.79955 7.3546 15.4471 9.79069 15.9955 numMergedOcc 0
37 mol 163 unq 2 iso 0 dist 8.21476 9.79955 7.3546 9.33755 9.27496 5.87447 numMergedOcc 0
38 mol 163 unq 3 iso 0 dist 7.66897 12.6283 7.3546 9.54216 9.79069 15.9955 numMergedOcc 0
39 mol 163 unq 4 iso 0 dist 7.66897 12.6283 7.3546 10.7572 9.27496 5.87447 numMergedOcc 0
40 mol 186 unq 0 iso 0 dist 7.94153 7.0016 8.12349 4.35079 4.5271 6.16503 numMergedOcc 0
41 mol 186 unq 1 iso 0 dist 7.94153 7.0016 8.12349 5.34643 7.02575 9.6472 numMergedOcc 0
42 mol 193 unq 0 iso 0 dist 7.94747 5.91268 5.44396 4.17434 8.67745 3.98356 numMergedOcc 0
43 mol 193 unq 1 iso 0 dist 8.76185 11.5632 5.44396 10.8409 7.8141 6.03632 numMergedOcc 0
44 mol 193 unq 2 iso 0 dist 8.76185 11.5632 5.44396 5.97706 8.43187 10.6169 numMergedOcc 0
45 mol 193 unq 3 iso 0 dist 8.76185 5.08201 6.22972 10.8409 7.8141 7.58433 numMergedOcc 0
46 mol 193 unq 4 iso 0 dist 8.76185 5.08201 6.22972 5.97706 8.43187 5.56664 numMergedOcc 0
47 mol 194 unq 0 iso 0 dist 9.77862 12.0339 5.52678 5.63279 5.68348 8.43261 numMergedOcc 0
48 mol 194 unq 1 iso 0 dist 9.77862 18.7006 9.81666 5.63279 5.68348 13.8424 numMergedOcc 0
49 mol 218 unq 0 iso 0 dist 6.86795 6.08698 8.93185 5.89482 8.3087 9.99277 numMergedOcc 0
50 mol 218 unq 1 iso 0 dist 6.61099 13.6339 8.93185 6.65167 8.3087 9.99277 numMergedOcc 0
51 mol 225 unq 0 iso 0 dist 5.13453 8.99405 6.53728 6.16433 8.20162 6.59663 numMergedOcc 0
52 mol 225 unq 1 iso 0 dist 7.29542 7.13893 6.53728 9.51752 9.23935 14.3973 numMergedOcc 0
53 mol 225 unq 2 iso 0 dist 7.29542 7.13893 6.53728 10.9596 7.77552 13.923 numMergedOcc 0
54 mol 237 unq 0 iso 0 dist 7.33613 8.97735 7.63812 4.7134 6.07878 11.0622 numMergedOcc 0
55 mol 237 unq 1 iso 0 dist 7.33613 8.97735 7.63812 6.42587 7.80422 9.12884 numMergedOcc 0
56 mol 237 unq 2 iso 0 dist 7.33613 8.97735 7.63812 9.55218 5.06628 6.26206 numMergedOcc 0
57 mol 237 unq 3 iso 0 dist 7.33613 10.415 8.51129 4.7134 6.07878 10.1757 numMergedOcc 0
58 mol 237 unq 4 iso 0 dist 7.33613 10.415 8.51129 6.42587 7.80422 5.77883 numMergedOcc 0
59 mol 237 unq 5 iso 0 dist 7.33613 10.415 8.51129 9.55218 5.06628 3.97854 numMergedOcc 0
60 mol 264 unq 0 iso 0 dist 9.42738 8.79843 5.74568 10.6815 7.21655 11.5512 numMergedOcc 0
61 mol 284 unq 0 iso 0 dist 8.27054 12.9607 7.97588 5.39591 9.63007 16.5329 numMergedOcc 0
62 mol 286 unq 0 iso 0 dist 8.72146 10.4684 5.91064 5.86348 8.69826 7.09114 numMergedOcc 0
