0 mol 7 unq 0 iso 0 dist 5.72491 9.67164 8.0744 7.12508 8.15894 12.8006 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.88043 5.99459 8.0744 12.8323 8.15894 12.8006 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.80762 5.99459 11.7002 12.8323 8.45544 12.8006 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.72502 8.09311 9.94429 5.11636 8.24948 12.6165 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.72502 9.05357 6.88355 5.11636 8.24948 12.7305 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 9.93832 6.6263 4.55347 10.8828 7.24352 8.34145 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.60739 6.75943 4.55347 5.07458 7.24352 8.34145 numMergedOcc 0
7 mol 43 unq 2 iso 0 dist 8.44903 6.66407 4.69849 4.96926 7.15901 8.34145 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 8.63486 9.2898 15.8558 6.15355 5.07125 11.0852 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 8.64015 6.56212 4.88345 6.08003 7.17026 8.66724 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 5.72642 7.69765 7.27912 5.03039 8.4965 10.9431 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 5.72642 9.42082 10.5109 5.03039 8.4965 14.3113 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 8.33077 6.93139 6.76477 7.21225 6.5739 7.5573 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 7.36779 9.66543 4.935 14.2036 8.48313 12.2382 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 7.36779 9.66543 4.935 10.092 6.99345 11.2397 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 7.36779 9.66543 4.935 4.46337 5.11043 8.62504 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 8.20836 7.21868 4.935 16.4114 8.48313 12.2382 numMergedOcc 0
17 mol 134 unq 4 iso 0 dist 8.20836 7.21868 4.935 12.8086 6.99345 11.2397 numMergedOcc 0
18 mol 134 unq 5 iso 0 dist 8.20836 7.21868 4.935 7.41373 5.11043 8.62504 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 6.69515 8.07097 5.25982 13.2918 6.77921 7.92216 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 7.25673 7.36975 9.30534 4.78563 8.612 9.94557 numMergedOcc 0
21 mol 143 unq 1 iso 0 dist 7.25673 5.40637 6.78032 4.78563 8.612 9.29944 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 9.77552 6.59889 4.71678 12.4535 6.92726 10.4667 numMergedOcc 0
23 mol 152 unq 1 iso 0 dist 9.77552 8.9192 7.11377 12.4535 6.92726 13.6351 numMergedOcc 0
24 mol 152 unq 2 iso 0 dist 8.28642 6.70693 4.71678 9.84297 6.92726 10.4667 numMergedOcc 0
25 mol 159 unq 0 iso 0 dist 7.25742 9.36259 5.34453 4.48323 6.07821 10.3977 numMergedOcc 0
26 mol 178 unq 0 iso 0 dist 4.92088 9.11204 7.79894 6.42973 8.25282 9.32938 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 7.24795 8.73533 9.40383 3.90244 8.57801 11.5162 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 9.83476 7.2793 6.38897 13.6744 7.04815 8.39342 numMergedOcc 0
29 mol 186 unq 2 iso 0 dist 9.83476 7.2793 6.38897 15.0914 6.07389 11.3617 numMergedOcc 0
30 mol 186 unq 3 iso 0 dist 9.83476 9.51091 8.93258 13.6744 7.04815 10.5048 numMergedOcc 0
31 mol 186 unq 4 iso 0 dist 9.83476 9.51091 8.93258 15.0914 6.07389 13.7777 numMergedOcc 0
32 mol 186 unq 5 iso 0 dist 9.83476 7.85184 11.924 13.6744 7.04815 18.2507 numMergedOcc 0
33 mol 186 unq 6 iso 0 dist 9.83476 7.85184 11.924 15.0914 6.07389 17.1125 numMergedOcc 0
34 mol 195 unq 0 iso 0 dist 6.60567 7.41662 9.48862 5.41635 6.34234 11.6534 numMergedOcc 0
35 mol 195 unq 1 iso 0 dist 6.60567 7.41662 9.48862 11.9954 7.87972 16.4813 numMergedOcc 0
36 mol 195 unq 2 iso 0 dist 7.62942 9.03441 8.89297 6.04871 6.34234 11.3524 numMergedOcc 0
37 mol 195 unq 3 iso 0 dist 7.62942 9.03441 8.89297 8.04534 7.87972 12.8025 numMergedOcc 0
38 mol 207 unq 0 iso 0 dist 7.96797 5.12567 5.47626 4.56899 8.78061 4.76113 numMergedOcc 0
39 mol 207 unq 1 iso 0 dist 7.96797 6.0563 7.64813 4.56899 8.78061 9.29133 numMergedOcc 0
40 mol 207 unq 2 iso 0 dist 7.96797 8.1244 11.9725 4.56899 8.78061 12.1046 numMergedOcc 0
41 mol 210 unq 0 iso 0 dist 7.63018 8.63693 6.75621 11.3763 9.14831 11.1983 numMergedOcc 0
42 mol 218 unq 0 iso 0 dist 8.86175 8.75536 13.4147 3.8877 8.04838 10.6793 numMergedOcc 0
43 mol 218 unq 1 iso 0 dist 6.29511 7.33709 13.4147 6.0516 8.04838 10.6793 numMergedOcc 0
44 mol 225 unq 0 iso 0 dist 9.18895 9.7982 6.47351 4.81762 9.22269 10.0412 numMergedOcc 0
45 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 4.1511 5.28771 6.09335 numMergedOcc 0
46 mol 227 unq 1 iso 0 dist 5.4694 6.91318 7.3164 4.69247 5.28771 6.09335 numMergedOcc 0
47 mol 229 unq 0 iso 0 dist 8.92743 7.27993 6.93188 11.0437 6.42694 12.4584 numMergedOcc 0
48 mol 229 unq 1 iso 0 dist 8.92743 7.27993 6.93188 11.9989 7.63917 11.5308 numMergedOcc 0
49 mol 229 unq 2 iso 0 dist 5.77318 6.95201 6.93188 7.46815 6.42694 12.4584 numMergedOcc 0
50 mol 229 unq 3 iso 0 dist 5.77318 6.95201 6.93188 5.37687 7.63917 11.5308 numMergedOcc 0
51 mol 236 unq 0 iso 0 dist 8.50331 9.3206 5.59363 11.5307 9.14068 13.9166 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 5.52379 9.07475 6.50998 4.48415 6.53286 11.9473 numMergedOcc 0
53 mol 238 unq 1 iso 0 dist 5.52379 6.99888 5.63944 4.48415 6.53286 9.51483 numMergedOcc 0
54 mol 264 unq 0 iso 0 dist 7.52281 5.90924 7.36132 5.71153 6.02757 9.78237 numMergedOcc 0
55 mol 264 unq 1 iso 0 dist 7.52281 5.90924 7.36132 6.87635 8.67231 9.95798 numMergedOcc 0
56 mol 264 unq 2 iso 0 dist 6.42588 9.58916 7.36132 6.56539 6.02757 9.78237 numMergedOcc 0
57 mol 264 unq 3 iso 0 dist 6.42588 9.58916 7.36132 4.76241 8.67231 9.95798 numMergedOcc 0
58 mol 264 unq 4 iso 0 dist 6.04162 9.19754 5.82131 11.4167 7.14086 9.78237 numMergedOcc 0
59 mol 264 unq 5 iso 0 dist 6.14323 8.29262 5.82131 13.2035 7.14086 9.78237 numMergedOcc 0
