0 mol 16 unq 0 iso 0 dist 9.56648 5.48395 5.84479 6.36377 5.35079 6.31718 12.9591 6.53177 7.63133 10.8455 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 9.56648 5.48395 5.84479 12.9591 6.53177 7.63133 6.36377 5.35079 6.31718 10.8455 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 9.94799 15.3073 9.23576 16.11 7.35595 7.50293 18.5085 8.59794 9.91611 5.79773 numMergedOcc 0
3 mol 38 unq 0 iso 1 dist 9.94799 15.3073 9.23576 18.5085 8.59794 9.91611 16.11 7.35595 7.50293 5.79773 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 5.01162 9.88291 6.59893 11.0361 11.9881 9.5589 11.4465 10.3564 6.83299 5.08001 numMergedOcc 0
5 mol 54 unq 0 iso 1 dist 5.01162 9.88291 6.59893 11.4465 10.3564 6.83299 11.0361 11.9881 9.5589 5.08001 numMergedOcc 0
6 mol 54 unq 1 iso 0 dist 5.01162 9.88291 6.59893 11.0361 11.9881 9.5589 16.0531 12.4254 8.10861 16.3192 numMergedOcc 0
7 mol 54 unq 1 iso 1 dist 5.01162 9.88291 6.59893 16.0531 12.4254 8.10861 11.0361 11.9881 9.5589 16.3192 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 5.01162 9.88291 6.59893 11.4465 10.3564 6.83299 16.0531 12.4254 8.10861 14.2075 numMergedOcc 0
9 mol 54 unq 1 iso 1 dist 5.01162 9.88291 6.59893 16.0531 12.4254 8.10861 11.4465 10.3564 6.83299 14.2075 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 5.70814 6.8958 6.48625 7.7978 6.34264 7.17396 10.3954 5.30842 9.21998 6.05545 numMergedOcc 0
11 mol 59 unq 0 iso 1 dist 5.70814 6.8958 6.48625 10.3954 5.30842 9.21998 7.7978 6.34264 7.17396 6.05545 numMergedOcc 0
12 mol 59 unq 1 iso 0 dist 5.58384 5.85228 6.48625 9.55751 6.34264 7.17396 10.7234 5.30842 9.21998 6.05545 numMergedOcc 0
13 mol 59 unq 1 iso 1 dist 5.58384 5.85228 6.48625 10.7234 5.30842 9.21998 9.55751 6.34264 7.17396 6.05545 numMergedOcc 0
14 mol 61 unq 0 iso 0 dist 9.82315 7.49081 5.92705 10.5781 5.4671 6.65721 12.4244 10.1513 6.72123 6.86346 numMergedOcc 0
15 mol 61 unq 0 iso 1 dist 9.82315 7.49081 5.92705 12.4244 10.1513 6.72123 10.5781 5.4671 6.65721 6.86346 numMergedOcc 0
16 mol 61 unq 1 iso 0 dist 9.67403 4.90701 9.62468 11.0419 10.7369 6.65721 8.46556 11.5608 6.72123 6.86346 numMergedOcc 0
17 mol 61 unq 1 iso 1 dist 9.67403 4.90701 9.62468 8.46556 11.5608 6.72123 11.0419 10.7369 6.65721 6.86346 numMergedOcc 0
18 mol 61 unq 2 iso 0 dist 7.28917 16.7918 9.62468 17.6513 10.7369 6.65721 18.1412 11.5608 6.72123 6.86346 numMergedOcc 0
19 mol 61 unq 2 iso 1 dist 7.28917 16.7918 9.62468 18.1412 11.5608 6.72123 17.6513 10.7369 6.65721 6.86346 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 5.58346 4.69583 6.89722 11.0671 10.4716 9.96396 6.18305 5.2774 6.19304 5.4148 numMergedOcc 0
21 mol 73 unq 0 iso 1 dist 5.58346 4.69583 6.89722 6.18305 5.2774 6.19304 11.0671 10.4716 9.96396 5.4148 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 5.58346 4.69583 6.89722 11.0671 10.4716 9.96396 13.2599 13.9156 8.70481 14.9342 numMergedOcc 0
23 mol 73 unq 1 iso 1 dist 5.58346 4.69583 6.89722 13.2599 13.9156 8.70481 11.0671 10.4716 9.96396 14.9342 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 5.58346 4.69583 6.89722 6.18305 5.2774 6.19304 13.2599 13.9156 8.70481 13.3558 numMergedOcc 0
25 mol 73 unq 1 iso 1 dist 5.58346 4.69583 6.89722 13.2599 13.9156 8.70481 6.18305 5.2774 6.19304 13.3558 numMergedOcc 0
26 mol 73 unq 2 iso 0 dist 9.10386 4.69583 7.26679 11.0671 8.31041 9.96396 6.18305 5.44275 6.19304 5.4148 numMergedOcc 0
27 mol 73 unq 2 iso 1 dist 9.10386 4.69583 7.26679 6.18305 5.44275 6.19304 11.0671 8.31041 9.96396 5.4148 numMergedOcc 0
28 mol 73 unq 3 iso 0 dist 9.10386 4.69583 7.26679 11.0671 8.31041 9.96396 13.2599 11.2674 8.70481 14.9342 numMergedOcc 0
29 mol 73 unq 3 iso 1 dist 9.10386 4.69583 7.26679 13.2599 11.2674 8.70481 11.0671 8.31041 9.96396 14.9342 numMergedOcc 0
30 mol 73 unq 3 iso 0 dist 9.10386 4.69583 7.26679 6.18305 5.44275 6.19304 13.2599 11.2674 8.70481 13.3558 numMergedOcc 0
31 mol 73 unq 3 iso 1 dist 9.10386 4.69583 7.26679 13.2599 11.2674 8.70481 6.18305 5.44275 6.19304 13.3558 numMergedOcc 0
32 mol 73 unq 4 iso 0 dist 9.66744 8.59095 6.89722 17.4799 10.4716 9.96396 12.9661 5.2774 6.19304 5.4148 numMergedOcc 0
33 mol 73 unq 4 iso 1 dist 9.66744 8.59095 6.89722 12.9661 5.2774 6.19304 17.4799 10.4716 9.96396 5.4148 numMergedOcc 0
34 mol 73 unq 5 iso 0 dist 9.66744 8.59095 6.89722 17.4799 10.4716 9.96396 10.1147 13.9156 8.70481 14.9342 numMergedOcc 0
35 mol 73 unq 5 iso 1 dist 9.66744 8.59095 6.89722 10.1147 13.9156 8.70481 17.4799 10.4716 9.96396 14.9342 numMergedOcc 0
36 mol 73 unq 5 iso 0 dist 9.66744 8.59095 6.89722 12.9661 5.2774 6.19304 10.1147 13.9156 8.70481 13.3558 numMergedOcc 0
37 mol 73 unq 5 iso 1 dist 9.66744 8.59095 6.89722 10.1147 13.9156 8.70481 12.9661 5.2774 6.19304 13.3558 numMergedOcc 0
38 mol 92 unq 0 iso 0 dist 6.78043 7.17015 4.98104 13.8155 10.7572 7.4729 11.9838 5.50764 6.82344 8.95922 numMergedOcc 0
39 mol 92 unq 0 iso 1 dist 6.78043 7.17015 4.98104 11.9838 5.50764 6.82344 13.8155 10.7572 7.4729 8.95922 numMergedOcc 0
40 mol 92 unq 1 iso 0 dist 5.74364 4.52119 4.98104 11.8917 10.7572 7.4729 9.79361 5.50764 6.82344 8.95922 numMergedOcc 0
41 mol 92 unq 1 iso 1 dist 5.74364 4.52119 4.98104 9.79361 5.50764 6.82344 11.8917 10.7572 7.4729 8.95922 numMergedOcc 0
42 mol 117 unq 0 iso 0 dist 6.81489 10.0087 7.70533 12.479 6.29427 9.84395 17.1533 14.3476 7.90328 13.1058 numMergedOcc 0
43 mol 117 unq 0 iso 1 dist 6.81489 10.0087 7.70533 17.1533 14.3476 7.90328 12.479 6.29427 9.84395 13.1058 numMergedOcc 0
44 mol 117 unq 1 iso 0 dist 9.33403 13.5681 9.85576 11.3462 10.4589 7.90328 17.9437 14.2649 7.83136 7.22206 numMergedOcc 0
45 mol 117 unq 1 iso 1 dist 9.33403 13.5681 9.85576 17.9437 14.2649 7.83136 11.3462 10.4589 7.90328 7.22206 numMergedOcc 0
46 mol 117 unq 2 iso 0 dist 9.33403 13.5681 9.85576 11.3462 10.4589 7.90328 16.6362 9.53886 7.0603 9.3584 numMergedOcc 0
47 mol 117 unq 2 iso 1 dist 9.33403 13.5681 9.85576 16.6362 9.53886 7.0603 11.3462 10.4589 7.90328 9.3584 numMergedOcc 0
48 mol 117 unq 2 iso 0 dist 9.33403 13.5681 9.85576 17.9437 14.2649 7.83136 16.6362 9.53886 7.0603 7.21564 numMergedOcc 0
49 mol 117 unq 2 iso 1 dist 9.33403 13.5681 9.85576 16.6362 9.53886 7.0603 17.9437 14.2649 7.83136 7.21564 numMergedOcc 0
50 mol 205 unq 0 iso 0 dist 6.09754 4.78067 8.43584 13.2374 12.4616 9.61492 9.34594 10.6123 7.45763 11.8283 numMergedOcc 0
51 mol 205 unq 0 iso 1 dist 6.09754 4.78067 8.43584 9.34594 10.6123 7.45763 13.2374 12.4616 9.61492 11.8283 numMergedOcc 0
52 mol 234 unq 0 iso 0 dist 9.36753 12.0816 5.89084 12.3151 4.74041 6.56247 7.86368 6.16697 9.45496 5.88703 numMergedOcc 0
53 mol 234 unq 0 iso 1 dist 9.36753 12.0816 5.89084 7.86368 6.16697 9.45496 12.3151 4.74041 6.56247 5.88703 numMergedOcc 0
54 mol 234 unq 1 iso 0 dist 9.36753 6.94762 8.47009 12.3151 4.74041 9.36357 7.86368 6.16697 6.7625 5.88703 numMergedOcc 0
55 mol 234 unq 1 iso 1 dist 9.36753 6.94762 8.47009 7.86368 6.16697 6.7625 12.3151 4.74041 9.36357 5.88703 numMergedOcc 0
56 mol 234 unq 2 iso 0 dist 4.90407 5.44171 5.00515 10.0587 5.16023 8.41436 13.3065 10.2063 8.92474 8.62358 numMergedOcc 0
57 mol 234 unq 2 iso 1 dist 4.90407 5.44171 5.00515 13.3065 10.2063 8.92474 10.0587 5.16023 8.41436 8.62358 numMergedOcc 0
58 mol 259 unq 0 iso 0 dist 5.98006 6.64729 6.77279 12.3391 7.55268 8.53687 8.06771 5.71237 8.13497 10.582 numMergedOcc 0
59 mol 259 unq 0 iso 1 dist 5.98006 6.64729 6.77279 8.06771 5.71237 8.13497 12.3391 7.55268 8.53687 10.582 numMergedOcc 0
60 mol 259 unq 1 iso 0 dist 5.98006 9.79538 9.58006 8.06771 5.71237 7.88519 12.3795 9.10984 7.84554 4.86771 numMergedOcc 0
61 mol 259 unq 1 iso 1 dist 5.98006 9.79538 9.58006 12.3795 9.10984 7.84554 8.06771 5.71237 7.88519 4.86771 numMergedOcc 0
62 mol 259 unq 2 iso 0 dist 5.98006 9.79538 9.58006 8.06771 5.71237 7.88519 11.1503 11.8501 7.46176 6.96053 numMergedOcc 0
63 mol 259 unq 2 iso 1 dist 5.98006 9.79538 9.58006 11.1503 11.8501 7.46176 8.06771 5.71237 7.88519 6.96053 numMergedOcc 0
64 mol 259 unq 3 iso 0 dist 5.98006 9.79538 9.58006 8.06771 5.71237 7.88519 17.0226 13.9868 9.18903 10.4881 numMergedOcc 0
65 mol 259 unq 3 iso 1 dist 5.98006 9.79538 9.58006 17.0226 13.9868 9.18903 8.06771 5.71237 7.88519 10.4881 numMergedOcc 0
66 mol 259 unq 2 iso 0 dist 5.98006 9.79538 9.58006 12.3795 9.10984 7.84554 11.1503 11.8501 7.46176 7.64658 numMergedOcc 0
67 mol 259 unq 2 iso 1 dist 5.98006 9.79538 9.58006 11.1503 11.8501 7.46176 12.3795 9.10984 7.84554 7.64658 numMergedOcc 0
68 mol 259 unq 3 iso 0 dist 5.98006 9.79538 9.58006 12.3795 9.10984 7.84554 17.0226 13.9868 9.18903 5.87173 numMergedOcc 0
69 mol 259 unq 3 iso 1 dist 5.98006 9.79538 9.58006 17.0226 13.9868 9.18903 12.3795 9.10984 7.84554 5.87173 numMergedOcc 0
70 mol 259 unq 3 iso 0 dist 5.98006 9.79538 9.58006 11.1503 11.8501 7.46176 17.0226 13.9868 9.18903 10.5239 numMergedOcc 0
71 mol 259 unq 3 iso 1 dist 5.98006 9.79538 9.58006 17.0226 13.9868 9.18903 11.1503 11.8501 7.46176 10.5239 numMergedOcc 0
