0 mol 0 unq 0 iso 0 dist 8.24206 9.5614 13.3337 5.25456 7.37981 7.15528 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.19218 9.5614 6.83587 5.25456 7.19621 7.15528 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.19397 5.55156 6.83587 7.1599 7.19621 7.15528 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 9.32945 6.22805 4.57188 17.302 9.85726 11.0773 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 9.90117 6.22805 6.09254 6.96396 7.21217 7.10621 numMergedOcc 0
5 mol 14 unq 0 iso 0 dist 7.66311 8.91266 7.00835 4.15151 8.39221 6.38364 numMergedOcc 0
6 mol 16 unq 0 iso 0 dist 7.88676 7.46752 6.53177 5.66097 5.84479 7.63133 numMergedOcc 0
7 mol 16 unq 1 iso 0 dist 7.88676 7.46752 6.53177 6.06561 8.67719 5.46498 numMergedOcc 0
8 mol 38 unq 0 iso 0 dist 5.86972 8.86547 10.4994 7.46414 9.23576 10.3882 numMergedOcc 0
9 mol 66 unq 0 iso 0 dist 6.85819 8.31793 5.57361 6.43842 9.37957 12.4286 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.39171 4.24428 8.04817 10.5627 6.89722 11.4799 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 5.39171 6.30194 5.2774 10.5627 6.89722 6.19304 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 9.27355 4.24428 9.76331 10.8067 9.68526 8.9232 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 9.27355 4.24428 9.76331 10.5627 7.26679 11.4799 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 9.27355 4.24428 9.76331 17.4113 9.30776 16.0453 numMergedOcc 0
15 mol 73 unq 5 iso 0 dist 9.27355 6.30194 5.44275 10.8067 9.68526 10.2049 numMergedOcc 0
16 mol 73 unq 6 iso 0 dist 9.27355 6.30194 5.44275 10.5627 7.26679 6.19304 numMergedOcc 0
17 mol 73 unq 7 iso 0 dist 9.27355 6.30194 5.44275 17.4113 9.30776 11.6369 numMergedOcc 0
18 mol 73 unq 8 iso 0 dist 8.60363 4.24428 10.4402 10.8067 9.72442 8.9232 numMergedOcc 0
19 mol 73 unq 9 iso 0 dist 8.60363 4.24428 10.4402 16.3515 9.02288 18.5645 numMergedOcc 0
20 mol 73 unq 10 iso 0 dist 8.60363 6.30194 8.0624 10.8067 9.72442 10.2049 numMergedOcc 0
21 mol 73 unq 11 iso 0 dist 8.60363 6.30194 8.0624 16.3515 9.02288 14.305 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 6.60356 9.57498 14.3495 9.96864 6.78459 18.696 numMergedOcc 0
23 mol 102 unq 0 iso 0 dist 5.43401 7.48277 9.76734 7.49575 9.10229 12.0341 numMergedOcc 0
24 mol 102 unq 1 iso 0 dist 5.43401 9.0361 8.17186 7.49575 9.10229 7.36792 numMergedOcc 0
25 mol 114 unq 0 iso 0 dist 5.31281 9.24515 7.18757 7.65733 7.25166 12.6649 numMergedOcc 0
26 mol 114 unq 1 iso 0 dist 5.31281 9.24515 7.18757 5.24877 8.42445 7.5732 numMergedOcc 0
27 mol 115 unq 0 iso 0 dist 7.67341 8.93552 11.909 5.3967 6.7225 11.2489 numMergedOcc 0
28 mol 115 unq 1 iso 0 dist 7.67341 8.35604 5.39296 5.3967 6.7225 5.11551 numMergedOcc 0
29 mol 119 unq 0 iso 0 dist 8.24549 6.85677 5.19198 4.99061 6.49205 6.18601 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 9.6582 5.97805 12.6081 16.3678 9.48243 18.8285 numMergedOcc 0
31 mol 175 unq 0 iso 0 dist 6.21546 6.73365 5.50014 5.73338 8.69888 5.6234 numMergedOcc 0
32 mol 175 unq 1 iso 0 dist 6.21546 9.45659 7.39186 5.73338 8.69888 6.57069 numMergedOcc 0
33 mol 175 unq 2 iso 0 dist 6.21546 9.44856 7.05768 5.73338 8.69888 9.7158 numMergedOcc 0
34 mol 175 unq 3 iso 0 dist 6.03184 6.73365 7.28617 5.52686 9.57611 12.0591 numMergedOcc 0
35 mol 175 unq 4 iso 0 dist 6.03184 6.73365 7.28617 5.73338 5.08206 5.6234 numMergedOcc 0
36 mol 175 unq 5 iso 0 dist 6.03184 9.45659 5.77256 5.52686 9.57611 14.3157 numMergedOcc 0
37 mol 175 unq 6 iso 0 dist 6.03184 9.45659 5.77256 5.73338 5.08206 6.57069 numMergedOcc 0
38 mol 175 unq 7 iso 0 dist 6.03184 9.44856 4.96871 5.52686 9.57611 13.1497 numMergedOcc 0
39 mol 175 unq 8 iso 0 dist 6.03184 9.44856 4.96871 5.73338 5.08206 9.7158 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 6.47689 9.63295 5.16386 4.681 6.43406 9.11469 numMergedOcc 0
41 mol 206 unq 0 iso 0 dist 7.65323 9.19263 7.40413 6.68626 9.99185 14.9092 numMergedOcc 0
42 mol 206 unq 1 iso 0 dist 7.65323 9.19263 7.40413 7.20088 8.31638 13.4144 numMergedOcc 0
43 mol 210 unq 0 iso 0 dist 6.24111 8.07523 5.82028 13.3929 9.67457 6.18308 numMergedOcc 0
44 mol 210 unq 1 iso 0 dist 9.00343 7.56882 5.82028 12.3088 9.67457 6.18308 numMergedOcc 0
45 mol 214 unq 0 iso 0 dist 9.81136 8.47248 4.82712 17.404 8.49704 11.9355 numMergedOcc 0
46 mol 220 unq 0 iso 0 dist 7.86207 8.9077 4.90657 10.6943 9.8711 9.23153 numMergedOcc 0
47 mol 224 unq 0 iso 0 dist 6.6537 7.04127 6.46679 4.55824 9.75313 6.61986 numMergedOcc 0
48 mol 224 unq 1 iso 0 dist 9.08719 7.04127 7.85135 4.55824 6.08709 6.61986 numMergedOcc 0
49 mol 224 unq 2 iso 0 dist 7.62593 4.79841 5.41021 11.4653 9.33771 8.95269 numMergedOcc 0
50 mol 224 unq 3 iso 0 dist 7.62593 4.79841 5.41021 12.5358 7.39839 9.99123 numMergedOcc 0
51 mol 230 unq 0 iso 0 dist 6.23346 8.56954 5.53578 9.6645 9.54235 13.1006 numMergedOcc 0
52 mol 230 unq 1 iso 0 dist 6.23346 9.23938 7.7551 9.6645 9.54235 16.6739 numMergedOcc 0
53 mol 231 unq 0 iso 0 dist 7.28719 9.98232 5.3251 10.9863 7.79865 7.37839 numMergedOcc 0
54 mol 231 unq 1 iso 0 dist 7.28719 9.98232 5.3251 10.2117 6.14348 8.40182 numMergedOcc 0
55 mol 236 unq 0 iso 0 dist 9.13126 6.73134 6.0258 5.52669 9.10613 8.04248 numMergedOcc 0
56 mol 238 unq 0 iso 0 dist 6.74214 8.89538 10.4952 6.3873 9.31417 10.3007 numMergedOcc 0
57 mol 238 unq 1 iso 0 dist 6.74214 7.98022 6.62361 6.3873 9.31417 5.72887 numMergedOcc 0
58 mol 238 unq 2 iso 0 dist 5.33462 8.89538 7.22173 6.3873 5.56719 10.3007 numMergedOcc 0
59 mol 238 unq 3 iso 0 dist 5.33462 7.98022 5.96552 6.3873 5.56719 5.72887 numMergedOcc 0
60 mol 241 unq 0 iso 0 dist 9.174 6.40592 4.86437 7.93809 9.72526 7.4631 numMergedOcc 0
61 mol 248 unq 0 iso 0 dist 8.11968 6.44967 4.53213 9.48478 8.71859 7.69895 numMergedOcc 0
62 mol 258 unq 0 iso 0 dist 7.70189 9.67877 10.4667 9.78068 8.58088 17.2071 numMergedOcc 0
63 mol 258 unq 1 iso 0 dist 7.70189 8.81059 9.22664 9.78068 8.58088 6.42289 numMergedOcc 0
64 mol 258 unq 2 iso 0 dist 7.70189 9.12006 13.0489 9.78068 8.58088 10.1675 numMergedOcc 0
65 mol 259 unq 0 iso 0 dist 6.76656 6.96379 5.71237 10.908 6.77279 8.13497 numMergedOcc 0
66 mol 259 unq 1 iso 0 dist 6.76656 6.96379 5.71237 12.7595 9.58006 7.88519 numMergedOcc 0
67 mol 264 unq 0 iso 0 dist 7.61232 6.80096 5.11257 8.57403 9.01085 11.8809 numMergedOcc 0
68 mol 264 unq 1 iso 0 dist 7.61232 6.80096 5.11257 8.70128 6.28512 10.6405 numMergedOcc 0
69 mol 265 unq 0 iso 0 dist 9.56472 7.54805 15.4199 15.3912 9.72927 18.8774 numMergedOcc 0
70 mol 274 unq 0 iso 0 dist 9.07452 6.21831 6.57235 6.11218 7.80446 9.10818 numMergedOcc 0
71 mol 274 unq 1 iso 0 dist 9.07452 6.21831 6.57235 11.3921 9.86142 13.0736 numMergedOcc 0
72 mol 274 unq 2 iso 0 dist 7.21004 6.21831 4.97216 6.11218 9.91395 9.10818 numMergedOcc 0
73 mol 274 unq 3 iso 0 dist 6.12202 9.81087 7.96313 5.7574 7.79904 10.3851 numMergedOcc 0
74 mol 274 unq 4 iso 0 dist 6.12202 9.81087 7.96313 7.23876 9.02749 12.8531 numMergedOcc 0
75 mol 274 unq 5 iso 0 dist 6.44266 9.79674 9.61244 6.98398 7.80446 15.2761 numMergedOcc 0
76 mol 274 unq 6 iso 0 dist 6.44266 9.79674 9.61244 6.99898 9.86142 16.5774 numMergedOcc 0
77 mol 274 unq 7 iso 0 dist 6.44266 8.3291 6.57235 6.98398 7.80446 9.10818 numMergedOcc 0
78 mol 274 unq 8 iso 0 dist 6.44266 8.3291 6.57235 6.99898 9.86142 13.0736 numMergedOcc 0
79 mol 274 unq 9 iso 0 dist 8.75703 9.79674 10.7877 6.98398 9.91395 15.2761 numMergedOcc 0
80 mol 274 unq 10 iso 0 dist 8.75703 8.3291 4.97216 6.98398 9.91395 9.10818 numMergedOcc 0
81 mol 280 unq 0 iso 0 dist 7.3304 8.27417 4.95798 7.26698 8.85762 6.0664 numMergedOcc 0
82 mol 282 unq 0 iso 0 dist 7.93511 6.84554 4.58403 9.67023 5.67266 8.76532 numMergedOcc 0
83 mol 282 unq 1 iso 0 dist 7.93511 9.51581 5.04235 9.67023 5.67266 6.33524 numMergedOcc 0
84 mol 282 unq 2 iso 0 dist 5.62497 8.58671 4.85461 8.13794 9.63346 8.04483 numMergedOcc 0
