0 mol 7 unq 0 iso 0 dist 7.7393 8.23909 4.92824 13.823 13.7022 9.60499 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 7.54797 8.39221 9.18933 7.00835 8.73627 6.38364 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 7.54797 8.73627 7.00835 9.18933 8.39221 6.38364 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 9.51574 8.47315 11.0043 5.59769 12.359 4.7319 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 9.51574 6.29703 5.58451 5.64581 8.86163 4.86568 numMergedOcc 0
5 mol 16 unq 2 iso 0 dist 9.39137 8.47315 6.73304 5.59769 9.29952 4.7319 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 9.52614 6.87871 10.4854 8.95909 17.7419 9.24927 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 8.62884 5.83937 10.6998 6.62193 14.5278 6.65595 numMergedOcc 0
8 mol 60 unq 1 iso 0 dist 8.62884 5.83937 10.6998 10.9885 18.7986 9.25011 numMergedOcc 0
9 mol 60 unq 2 iso 0 dist 8.62884 5.83937 10.6998 9.96073 14.5138 6.43294 numMergedOcc 0
10 mol 60 unq 3 iso 0 dist 8.62884 5.83937 10.6998 11.2445 18.1507 8.52121 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 8.21858 7.49054 6.23291 5.49044 10.4075 5.83409 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 9.0224 8.21889 10.6667 5.5332 13.1633 7.34473 numMergedOcc 0
13 mol 109 unq 1 iso 0 dist 9.0224 9.74643 15.1709 5.5332 13.1633 8.58044 numMergedOcc 0
14 mol 109 unq 2 iso 0 dist 9.0224 6.86702 10.3273 5.5332 13.1633 9.97763 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 9.40633 6.49205 6.83988 5.19198 12.1173 6.18601 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 9.95698 9.42766 7.09701 14.0677 15.5777 8.73993 numMergedOcc 0
17 mol 130 unq 0 iso 0 dist 6.00391 7.83619 11.8666 10.0837 16.086 9.28393 numMergedOcc 0
18 mol 130 unq 1 iso 0 dist 9.70695 7.83619 5.15286 10.0837 10.2741 9.28393 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 8.43088 6.11955 6.43447 7.96098 10.4418 6.80239 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 8.60913 8.84018 14.8033 8.00493 15.397 6.5107 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 9.8492 8.89982 10.035 13.2491 13.4078 8.56324 numMergedOcc 0
22 mol 156 unq 0 iso 0 dist 8.24004 6.71202 4.08699 5.70205 10.543 7.66148 numMergedOcc 0
23 mol 156 unq 1 iso 0 dist 9.61678 9.16591 4.7382 9.27577 12.6493 9.83699 numMergedOcc 0
24 mol 178 unq 0 iso 0 dist 7.69328 8.0974 15.6558 12.2822 19.6692 6.69288 numMergedOcc 0
25 mol 178 unq 1 iso 0 dist 7.69328 8.0974 15.6558 12.4338 19.9978 6.43573 numMergedOcc 0
26 mol 178 unq 2 iso 0 dist 7.69328 8.0974 15.6558 13.9722 20.7581 7.17202 numMergedOcc 0
27 mol 178 unq 3 iso 0 dist 7.69328 8.0974 15.6558 13.5599 19.7487 8.81551 numMergedOcc 0
28 mol 188 unq 0 iso 0 dist 9.68317 6.02561 8.53432 5.5682 14.0931 9.96154 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 9.03521 8.49704 13.0236 12.4611 18.3354 9.65138 numMergedOcc 0
30 mol 214 unq 1 iso 0 dist 9.03521 8.49704 13.0236 11.832 19.1405 7.14453 numMergedOcc 0
31 mol 214 unq 2 iso 0 dist 9.03521 8.49704 13.0236 10.644 14.746 8.85478 numMergedOcc 0
32 mol 220 unq 0 iso 0 dist 9.58724 9.8711 14.6296 4.90657 7.31105 9.23153 numMergedOcc 0
33 mol 220 unq 1 iso 0 dist 9.58724 7.31105 4.90657 14.6296 9.8711 9.23153 numMergedOcc 0
34 mol 220 unq 2 iso 0 dist 9.58724 7.31105 4.90657 9.52692 12.6756 8.24498 numMergedOcc 0
35 mol 224 unq 0 iso 0 dist 9.79842 6.08709 6.06244 7.85135 12.3897 6.61986 numMergedOcc 0
36 mol 224 unq 1 iso 0 dist 8.23071 9.75313 10.9485 6.46679 12.5309 6.61986 numMergedOcc 0
37 mol 224 unq 2 iso 0 dist 5.90784 6.56437 5.41021 14.2632 9.33771 8.95269 numMergedOcc 0
38 mol 224 unq 3 iso 0 dist 5.90784 9.33771 14.2632 5.41021 6.56437 8.95269 numMergedOcc 0
39 mol 224 unq 4 iso 0 dist 5.90784 9.33771 14.2632 4.91322 9.2491 6.57273 numMergedOcc 0
40 mol 224 unq 5 iso 0 dist 5.90784 9.33771 14.2632 12.979 17.4981 5.78342 numMergedOcc 0
41 mol 224 unq 6 iso 0 dist 5.90784 7.39839 13.2364 7.65225 12.6878 6.65832 numMergedOcc 0
42 mol 224 unq 7 iso 0 dist 5.90784 7.39839 13.2364 4.91322 9.2491 6.60589 numMergedOcc 0
43 mol 224 unq 8 iso 0 dist 5.90784 7.39839 13.2364 12.979 17.4981 9.16166 numMergedOcc 0
44 mol 224 unq 9 iso 0 dist 8.50322 9.53131 5.41021 9.59595 9.33771 8.95269 numMergedOcc 0
45 mol 224 unq 10 iso 0 dist 8.50322 9.33771 9.59595 5.41021 9.53131 8.95269 numMergedOcc 0
46 mol 224 unq 11 iso 0 dist 8.50322 9.33771 9.59595 4.91322 10.7064 6.57273 numMergedOcc 0
47 mol 224 unq 12 iso 0 dist 8.50322 9.33771 9.59595 12.979 15.1912 5.78342 numMergedOcc 0
48 mol 224 unq 13 iso 0 dist 8.50322 7.39839 9.40389 7.65225 14.2591 6.65832 numMergedOcc 0
49 mol 224 unq 14 iso 0 dist 8.50322 7.39839 9.40389 4.91322 10.7064 6.60589 numMergedOcc 0
50 mol 224 unq 15 iso 0 dist 8.50322 7.39839 9.40389 12.979 15.1912 9.16166 numMergedOcc 0
51 mol 229 unq 0 iso 0 dist 9.92855 9.84492 7.49004 11.9226 15.1936 8.22528 numMergedOcc 0
52 mol 234 unq 0 iso 0 dist 6.41452 5.00515 4.93539 5.16023 10.9041 8.41436 numMergedOcc 0
53 mol 234 unq 1 iso 0 dist 6.41452 5.00515 4.93539 10.2063 11.598 8.92474 numMergedOcc 0
54 mol 236 unq 0 iso 0 dist 7.34709 8.77254 10.6351 5.74377 10.4926 8.04248 numMergedOcc 0
55 mol 236 unq 1 iso 0 dist 7.34709 8.77254 10.6351 10.054 8.96717 8.35971 numMergedOcc 0
56 mol 248 unq 0 iso 0 dist 9.39764 7.66519 6.12544 6.42363 12.4697 9.56569 numMergedOcc 0
57 mol 259 unq 0 iso 0 dist 6.13752 6.77279 6.59107 7.55268 9.74679 8.53687 numMergedOcc 0
58 mol 259 unq 1 iso 0 dist 6.13752 6.77279 6.59107 5.71237 10.8647 8.13497 numMergedOcc 0
59 mol 259 unq 2 iso 0 dist 6.13752 9.58006 11.1778 5.71237 10.8647 7.88519 numMergedOcc 0
60 mol 259 unq 3 iso 0 dist 6.13752 9.58006 11.1778 9.10984 14.2398 7.84554 numMergedOcc 0
61 mol 259 unq 4 iso 0 dist 6.13752 9.58006 11.1778 11.8501 15.0974 7.46176 numMergedOcc 0
62 mol 259 unq 5 iso 0 dist 6.13752 9.58006 11.1778 13.9868 18.1936 9.18903 numMergedOcc 0
63 mol 261 unq 0 iso 0 dist 9.50269 9.62828 4.50761 10.5691 10.2386 8.02547 numMergedOcc 0
64 mol 278 unq 0 iso 0 dist 5.12827 9.82774 9.40662 10.5903 13.774 8.44326 numMergedOcc 0
65 mol 279 unq 0 iso 0 dist 9.77593 8.13489 10.2086 5.51096 14.659 9.70696 numMergedOcc 0
