0 mol 11 unq 0 iso 0 dist 9.74528 17.4352 9.81983 15.0022 6.83186 6.51674 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.26877 14.2257 7.11491 5.39197 8.22812 11.6319 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.26877 14.2257 7.11491 9.53255 4.22002 5.39812 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 8.26877 14.2257 7.11491 7.75132 5.77855 8.55482 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 8.26877 14.2257 7.11491 14.2848 8.10774 3.59761 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 8.26877 14.2257 7.11491 12.4977 6.5241 3.50984 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 7.99434 11.0398 7.11491 12.2756 8.22812 11.6319 numMergedOcc 0
7 mol 48 unq 6 iso 0 dist 7.99434 11.0398 7.11491 8.12843 4.22002 5.39812 numMergedOcc 0
8 mol 48 unq 7 iso 0 dist 7.99434 11.0398 7.11491 8.16676 5.77855 8.55482 numMergedOcc 0
9 mol 48 unq 8 iso 0 dist 7.99434 11.0398 7.11491 9.72202 8.10774 3.59761 numMergedOcc 0
10 mol 48 unq 9 iso 0 dist 7.99434 11.0398 7.11491 12.7252 6.5241 3.50984 numMergedOcc 0
11 mol 48 unq 10 iso 0 dist 7.49794 13.7393 7.1829 13.819 8.14245 3.60121 numMergedOcc 0
12 mol 48 unq 11 iso 0 dist 7.49794 13.7393 7.1829 11.8742 6.36817 3.65036 numMergedOcc 0
13 mol 48 unq 12 iso 0 dist 7.49794 13.7393 7.1829 5.44298 8.0812 11.611 numMergedOcc 0
14 mol 48 unq 13 iso 0 dist 7.49794 13.7393 7.1829 9.10301 4.17933 5.37655 numMergedOcc 0
15 mol 48 unq 14 iso 0 dist 7.49794 13.7393 7.1829 7.24268 5.54893 8.48119 numMergedOcc 0
16 mol 48 unq 15 iso 0 dist 8.10222 11.0408 7.1829 9.57893 8.14245 3.60121 numMergedOcc 0
17 mol 48 unq 16 iso 0 dist 8.10222 11.0408 7.1829 12.6437 6.36817 3.65036 numMergedOcc 0
18 mol 48 unq 17 iso 0 dist 8.10222 11.0408 7.1829 12.0687 8.0812 11.611 numMergedOcc 0
19 mol 48 unq 18 iso 0 dist 8.10222 11.0408 7.1829 7.88988 4.17933 5.37655 numMergedOcc 0
20 mol 48 unq 19 iso 0 dist 8.10222 11.0408 7.1829 8.00934 5.54893 8.48119 numMergedOcc 0
21 mol 68 unq 0 iso 0 dist 5.26566 7.41059 9.87699 5.08181 7.7485 3.56619 numMergedOcc 0
22 mol 79 unq 0 iso 0 dist 7.75543 12.0977 8.84225 6.51961 4.15789 6.07693 numMergedOcc 0
23 mol 79 unq 1 iso 0 dist 7.75543 12.0977 8.84225 4.08459 4.808 10.8556 numMergedOcc 0
24 mol 79 unq 2 iso 0 dist 7.75543 8.15741 6.72546 6.51961 4.15789 5.25584 numMergedOcc 0
25 mol 79 unq 3 iso 0 dist 7.75543 8.15741 6.72546 4.08459 4.808 5.79629 numMergedOcc 0
26 mol 79 unq 4 iso 0 dist 4.2253 10.3307 7.38548 8.65653 6.20144 5.79629 numMergedOcc 0
27 mol 83 unq 0 iso 0 dist 7.69755 10.4465 8.99451 4.12785 7.50925 8.98065 numMergedOcc 0
28 mol 83 unq 1 iso 0 dist 7.69755 10.4465 8.99451 6.83349 6.96722 13.9971 numMergedOcc 0
29 mol 83 unq 2 iso 0 dist 9.64197 14.2697 8.99451 9.58199 7.50925 8.98065 numMergedOcc 0
30 mol 83 unq 3 iso 0 dist 9.64197 14.2697 8.99451 8.6522 6.96722 13.9971 numMergedOcc 0
31 mol 85 unq 0 iso 0 dist 8.66427 6.38363 8.25144 5.26904 7.07839 9.66391 numMergedOcc 0
32 mol 85 unq 1 iso 0 dist 8.66427 6.38363 8.25144 11.9441 9.09711 15.6454 numMergedOcc 0
33 mol 85 unq 2 iso 0 dist 8.66427 6.38363 8.25144 13.8217 7.04244 13.6534 numMergedOcc 0
34 mol 85 unq 3 iso 0 dist 8.66427 6.38363 8.25144 9.54731 9.63449 3.93938 numMergedOcc 0
35 mol 85 unq 4 iso 0 dist 8.66427 6.38363 8.25144 6.77316 7.91193 11.6517 numMergedOcc 0
36 mol 85 unq 5 iso 0 dist 7.51319 16.5205 9.13593 6.90443 6.67137 13.6534 numMergedOcc 0
37 mol 85 unq 6 iso 0 dist 7.51319 16.5205 9.13593 17.0873 9.78707 3.93938 numMergedOcc 0
38 mol 85 unq 7 iso 0 dist 8.49887 16.5205 8.25144 13.5026 7.07839 9.66391 numMergedOcc 0
39 mol 85 unq 8 iso 0 dist 8.49887 16.5205 8.25144 10.1386 9.09711 15.6454 numMergedOcc 0
40 mol 85 unq 9 iso 0 dist 8.49887 16.5205 8.25144 6.90443 7.04244 13.6534 numMergedOcc 0
41 mol 85 unq 10 iso 0 dist 8.49887 16.5205 8.25144 17.0873 9.63449 3.93938 numMergedOcc 0
42 mol 85 unq 11 iso 0 dist 8.49887 16.5205 8.25144 13.1772 7.91193 11.6517 numMergedOcc 0
43 mol 85 unq 12 iso 0 dist 9.43839 6.53627 9.13593 14.6513 6.67137 13.6534 numMergedOcc 0
44 mol 85 unq 13 iso 0 dist 9.43839 6.53627 9.13593 4.43737 9.78707 3.93938 numMergedOcc 0
45 mol 92 unq 0 iso 0 dist 4.91714 8.27358 6.89071 3.63696 8.10623 9.18008 numMergedOcc 0
46 mol 93 unq 0 iso 0 dist 5.23929 6.79091 5.56839 4.90515 5.20429 5.01255 numMergedOcc 0
47 mol 93 unq 1 iso 0 dist 5.23929 6.79091 5.56839 5.08254 8.71366 9.11323 numMergedOcc 0
48 mol 93 unq 2 iso 0 dist 5.23929 8.71469 7.83506 4.90515 5.20429 8.98901 numMergedOcc 0
49 mol 93 unq 3 iso 0 dist 5.23929 8.71469 7.83506 5.08254 8.71366 8.52329 numMergedOcc 0
50 mol 111 unq 0 iso 0 dist 8.11813 4.95257 9.72371 6.42834 4.91212 8.83426 numMergedOcc 0
51 mol 111 unq 1 iso 0 dist 8.11813 4.95257 9.72371 15.1151 9.34782 16.815 numMergedOcc 0
52 mol 143 unq 0 iso 0 dist 9.99012 11.6598 7.2932 11.9534 4.3855 4.5497 numMergedOcc 0
53 mol 143 unq 1 iso 0 dist 5.33772 8.28318 7.2932 5.08025 4.3855 4.5497 numMergedOcc 0
54 mol 186 unq 0 iso 0 dist 4.79423 9.50013 9.31569 5.86994 7.25595 9.73374 numMergedOcc 0
55 mol 186 unq 1 iso 0 dist 4.79423 9.50013 9.31569 8.74892 9.94825 7.47658 numMergedOcc 0
56 mol 186 unq 2 iso 0 dist 4.79423 8.59979 8.72743 5.86994 7.25595 14.2269 numMergedOcc 0
57 mol 186 unq 3 iso 0 dist 4.79423 8.59979 8.72743 8.74892 9.94825 9.76301 numMergedOcc 0
58 mol 193 unq 0 iso 0 dist 9.13587 11.8686 9.9042 16.5276 8.30069 11.1328 numMergedOcc 0
59 mol 193 unq 1 iso 0 dist 9.13587 11.8686 9.9042 15.3446 8.83551 11.6691 numMergedOcc 0
60 mol 193 unq 2 iso 0 dist 9.13587 5.88692 6.21262 16.5276 8.30069 11.4882 numMergedOcc 0
61 mol 193 unq 3 iso 0 dist 9.13587 5.88692 6.21262 15.3446 8.83551 9.7301 numMergedOcc 0
62 mol 206 unq 0 iso 0 dist 9.58346 14.2366 7.9416 8.44261 6.80296 9.36584 numMergedOcc 0
63 mol 206 unq 1 iso 0 dist 9.60549 5.91675 7.9416 13.8891 6.80296 9.36584 numMergedOcc 0
64 mol 254 unq 0 iso 0 dist 9.84028 10.6769 9.31434 11.4342 7.85841 11.0708 numMergedOcc 0
65 mol 254 unq 1 iso 0 dist 9.84028 10.6769 9.31434 11.2466 9.20109 13.4911 numMergedOcc 0
66 mol 284 unq 0 iso 0 dist 8.2236 6.50962 7.74874 8.4652 5.6964 3.57807 numMergedOcc 0
67 mol 285 unq 0 iso 0 dist 4.95596 11.9198 8.79261 4.57431 5.88958 8.78384 numMergedOcc 0
68 mol 285 unq 1 iso 0 dist 6.3508 11.9198 9.99125 4.57431 7.78121 8.78384 numMergedOcc 0
69 mol 287 unq 0 iso 0 dist 8.17436 13.2009 9.25759 9.08224 4.68668 5.39801 numMergedOcc 0
70 mol 288 unq 0 iso 0 dist 8.17436 13.2009 9.25759 9.08224 4.68668 5.39801 numMergedOcc 0
71 mol 289 unq 0 iso 0 dist 8.17436 13.2009 9.25759 9.08224 4.68668 5.39801 numMergedOcc 0
