0 mol 1 unq 0 iso 0 dist 6.35771 9.43252 8.26708 11.9399 7.27254 6.27888 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 6.35771 10.7006 6.09918 11.9399 7.27254 4.50502 numMergedOcc 0
2 mol 2 unq 0 iso 0 dist 9.52737 9.45493 7.64304 6.28146 8.80146 3.89238 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 6.66645 12.1978 5.72491 12.0608 8.15894 7.12508 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 6.66645 4.78012 7.88043 12.0608 8.15894 12.8323 numMergedOcc 0
5 mol 7 unq 2 iso 0 dist 5.22017 4.78012 8.80762 12.0608 8.45544 12.8323 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 9.32155 7.23774 8.44903 10.4149 7.15901 4.96926 numMergedOcc 0
7 mol 53 unq 0 iso 0 dist 7.61675 12.1831 7.09169 5.8992 6.2676 9.22034 numMergedOcc 0
8 mol 53 unq 1 iso 0 dist 9.64645 7.56636 7.09169 6.05689 6.2676 9.22034 numMergedOcc 0
9 mol 56 unq 0 iso 0 dist 6.59067 11.5896 8.63486 9.87628 5.07125 6.15355 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 9.57633 6.58144 7.27383 7.43516 6.87028 4.00553 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 9.26179 14.2704 8.03303 15.7193 7.69861 8.96557 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 8.99661 5.41023 6.61823 4.57682 6.98037 5.31547 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 8.99661 5.41023 6.61823 8.67704 6.9223 4.3481 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 9.67948 11.4909 6.43433 7.04523 5.43933 10.5563 numMergedOcc 0
15 mol 112 unq 1 iso 0 dist 9.67948 11.4909 6.43433 6.74766 4.99604 6.95317 numMergedOcc 0
16 mol 112 unq 2 iso 0 dist 9.67948 11.4909 6.43433 7.65123 9.97483 13.5094 numMergedOcc 0
17 mol 112 unq 3 iso 0 dist 9.67948 11.4909 6.43433 12.703 7.44041 6.75738 numMergedOcc 0
18 mol 112 unq 4 iso 0 dist 9.67948 13.1737 9.92283 7.04523 5.43933 12.6108 numMergedOcc 0
19 mol 112 unq 5 iso 0 dist 9.67948 13.1737 9.92283 6.74766 4.99604 10.9279 numMergedOcc 0
20 mol 112 unq 6 iso 0 dist 9.67948 13.1737 9.92283 7.65123 9.97483 13.764 numMergedOcc 0
21 mol 112 unq 7 iso 0 dist 9.67948 13.1737 9.92283 12.703 7.44041 5.43385 numMergedOcc 0
22 mol 112 unq 8 iso 0 dist 6.55773 10.3209 6.43433 6.00039 5.43933 10.5563 numMergedOcc 0
23 mol 112 unq 9 iso 0 dist 6.55773 10.3209 6.43433 10.0699 9.97483 13.5094 numMergedOcc 0
24 mol 112 unq 10 iso 0 dist 6.55773 10.3209 6.43433 3.50778 4.99604 6.95317 numMergedOcc 0
25 mol 112 unq 11 iso 0 dist 6.55773 10.3209 6.43433 12.7907 7.44041 6.75738 numMergedOcc 0
26 mol 112 unq 12 iso 0 dist 6.55773 13.9635 9.92283 6.00039 5.43933 12.6108 numMergedOcc 0
27 mol 112 unq 13 iso 0 dist 6.55773 13.9635 9.92283 10.0699 9.97483 13.764 numMergedOcc 0
28 mol 112 unq 14 iso 0 dist 6.55773 13.9635 9.92283 3.50778 4.99604 10.9279 numMergedOcc 0
29 mol 112 unq 15 iso 0 dist 6.55773 13.9635 9.92283 12.7907 7.44041 5.43385 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 9.89116 9.70986 7.77116 15.7791 9.6121 6.9194 numMergedOcc 0
31 mol 119 unq 1 iso 0 dist 9.89116 9.70986 7.77116 13.4766 9.57341 9.68677 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 7.83401 6.89903 8.56003 9.97336 9.05336 6.11469 numMergedOcc 0
33 mol 140 unq 0 iso 0 dist 9.62457 8.3808 5.39064 6.52033 7.19291 4.91618 numMergedOcc 0
34 mol 140 unq 1 iso 0 dist 9.62457 8.3808 5.39064 11.9098 6.66504 4.75859 numMergedOcc 0
35 mol 141 unq 0 iso 0 dist 6.78772 7.862 6.69515 12.017 6.77921 13.2918 numMergedOcc 0
36 mol 141 unq 1 iso 0 dist 6.78772 5.64577 7.86572 12.017 6.77921 13.4066 numMergedOcc 0
37 mol 158 unq 0 iso 0 dist 8.15524 14.6279 7.88319 3.96267 6.11331 13.7172 numMergedOcc 0
38 mol 186 unq 0 iso 0 dist 6.84316 5.64932 7.28841 6.26268 8.17226 8.0472 numMergedOcc 0
39 mol 188 unq 0 iso 0 dist 7.98533 6.33907 8.57261 8.40761 7.79115 9.71636 numMergedOcc 0
40 mol 212 unq 0 iso 0 dist 8.27217 7.30329 8.74585 8.95521 9.22129 3.9436 numMergedOcc 0
41 mol 225 unq 0 iso 0 dist 5.81013 7.08175 9.18895 6.53092 9.22269 4.81762 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 6.52129 5.65307 5.52379 6.10342 6.53286 4.48415 numMergedOcc 0
43 mol 252 unq 0 iso 0 dist 9.00798 6.57025 6.11473 7.92795 9.39658 5.6214 numMergedOcc 0
44 mol 276 unq 0 iso 0 dist 8.96556 11.6308 6.70215 14.9079 7.49391 4.51728 numMergedOcc 0
45 mol 276 unq 1 iso 0 dist 8.96556 14.0743 7.25423 14.9079 7.49391 5.45206 numMergedOcc 0
46 mol 276 unq 2 iso 0 dist 8.96556 15.638 7.88706 14.9079 7.49391 9.33434 numMergedOcc 0
47 mol 276 unq 3 iso 0 dist 8.96556 4.73253 7.23916 14.9079 7.49391 12.2368 numMergedOcc 0
48 mol 278 unq 0 iso 0 dist 6.06813 9.61803 7.67245 4.52839 8.63072 13.5923 numMergedOcc 0
49 mol 278 unq 1 iso 0 dist 6.06813 9.61803 7.67245 5.48402 7.59696 10.0918 numMergedOcc 0
50 mol 278 unq 2 iso 0 dist 6.06813 7.87608 9.12395 4.52839 8.63072 10.9571 numMergedOcc 0
51 mol 278 unq 3 iso 0 dist 6.06813 7.87608 9.12395 5.48402 7.59696 6.48173 numMergedOcc 0
