0 mol 7 unq 0 iso 0 dist 9.8603 15.8072 8.72114 11.4767 6.34041 6.14469 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.46229 9.93406 7.32257 13.6879 8.50424 7.35972 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 5.95165 4.46394 5.96346 11.7593 10.7734 7.98326 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 5.95165 4.46394 5.96346 7.95811 9.62262 7.46578 numMergedOcc 0
4 mol 11 unq 2 iso 0 dist 5.7435 4.24301 6.35398 11.4417 10.9183 7.98326 numMergedOcc 0
5 mol 11 unq 3 iso 0 dist 5.7435 4.24301 6.35398 8.23032 9.99434 7.90478 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 9.54519 12.1061 8.4051 18.4559 12.176 6.72323 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 6.11056 11.095 8.60554 16.6031 14.012 6.72323 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 8.40051 4.32173 6.16347 8.78181 6.08585 6.25843 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 8.6396 4.32173 7.45383 8.78181 5.77929 6.25843 numMergedOcc 0
10 mol 25 unq 2 iso 0 dist 8.6396 16.0077 9.01548 8.78181 5.77929 8.88938 numMergedOcc 0
11 mol 25 unq 3 iso 0 dist 8.88413 10.7087 7.55264 11.6272 10.8498 6.25843 numMergedOcc 0
12 mol 25 unq 4 iso 0 dist 8.88413 10.7087 7.55264 18.0075 10.4337 8.88938 numMergedOcc 0
13 mol 44 unq 0 iso 0 dist 9.96265 12.8967 9.6782 12.7039 4.55437 7.48846 numMergedOcc 0
14 mol 44 unq 1 iso 0 dist 9.70459 13.4256 9.6782 13.31 4.55437 7.48846 numMergedOcc 0
15 mol 44 unq 2 iso 0 dist 7.78905 9.64095 9.6782 10.53 4.55437 7.48846 numMergedOcc 0
16 mol 44 unq 3 iso 0 dist 9.44909 4.83412 9.6782 9.45566 4.55437 7.48846 numMergedOcc 0
17 mol 65 unq 0 iso 0 dist 8.76461 6.59475 6.72639 5.83149 5.51708 5.94206 numMergedOcc 0
18 mol 91 unq 0 iso 0 dist 9.3931 5.09984 5.73743 13.3355 10.1024 8.66165 numMergedOcc 0
19 mol 92 unq 0 iso 0 dist 8.4545 4.1125 5.9465 5.62309 8.70803 6.77241 numMergedOcc 0
20 mol 92 unq 1 iso 0 dist 8.4545 4.1125 5.9465 7.11438 9.52327 5.50508 numMergedOcc 0
21 mol 92 unq 2 iso 0 dist 7.01176 4.1125 6.97962 5.62309 8.87994 6.77241 numMergedOcc 0
22 mol 92 unq 3 iso 0 dist 7.01176 4.1125 6.97962 7.11438 11.641 5.50508 numMergedOcc 0
23 mol 92 unq 4 iso 0 dist 7.5819 4.00923 7.52354 13.887 14.3301 9.91054 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.9747 7.43001 6.65501 10.9995 7.06961 6.88901 numMergedOcc 0
25 mol 98 unq 1 iso 0 dist 4.50572 9.5305 6.65501 11.1541 7.06961 6.88901 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 8.89481 11.2266 8.8822 14.3332 7.27193 6.6317 numMergedOcc 0
27 mol 119 unq 0 iso 0 dist 6.40546 5.73999 8.99399 8.4733 7.45148 7.20249 numMergedOcc 0
28 mol 129 unq 0 iso 0 dist 6.38163 7.03404 6.28565 12.672 10.7293 9.73158 numMergedOcc 0
29 mol 129 unq 1 iso 0 dist 6.38163 7.03404 6.28565 11.6466 7.29399 7.59327 numMergedOcc 0
30 mol 162 unq 0 iso 0 dist 8.25167 4.13881 6.45896 12.2828 4.38317 9.7361 numMergedOcc 0
31 mol 171 unq 0 iso 0 dist 6.07091 4.98945 9.61462 8.81813 11.5561 5.25109 numMergedOcc 0
32 mol 171 unq 1 iso 0 dist 6.07091 4.98945 9.61462 10.1083 10.844 8.21618 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 9.58911 12.0718 6.22122 13.2834 6.06566 7.32087 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 9.58911 12.0718 6.22122 15.9008 13.0409 8.86197 numMergedOcc 0
35 mol 181 unq 2 iso 0 dist 9.84952 6.78739 5.94469 14.0612 9.69409 9.92471 numMergedOcc 0
36 mol 192 unq 0 iso 0 dist 9.90531 11.0516 8.77999 17.1417 12.717 6.60053 numMergedOcc 0
37 mol 192 unq 1 iso 0 dist 9.90531 11.0516 8.77999 18.5257 14.8459 9.36796 numMergedOcc 0
38 mol 196 unq 0 iso 0 dist 8.79558 11.4857 6.86319 17.9837 10.645 7.21349 numMergedOcc 0
39 mol 232 unq 0 iso 0 dist 7.70279 6.36084 8.50102 9.41148 6.2188 9.78181 numMergedOcc 0
40 mol 232 unq 1 iso 0 dist 7.70279 6.36084 8.50102 7.83422 12.3508 9.8664 numMergedOcc 0
41 mol 232 unq 2 iso 0 dist 9.29752 6.36084 9.40808 9.41148 12.5452 9.78181 numMergedOcc 0
42 mol 232 unq 3 iso 0 dist 9.29752 6.36084 9.40808 7.83422 8.80479 9.8664 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 9.32451 16.2294 8.94014 11.4318 5.50308 5.92374 numMergedOcc 0
44 mol 244 unq 0 iso 0 dist 7.65388 4.38246 5.50492 8.57917 7.6169 7.95359 numMergedOcc 0
45 mol 244 unq 1 iso 0 dist 7.65388 4.38246 5.50492 5.79898 5.17744 6.22122 numMergedOcc 0
46 mol 249 unq 0 iso 0 dist 6.37672 4.20164 5.48118 9.02777 9.0676 5.9627 numMergedOcc 0
47 mol 249 unq 1 iso 0 dist 8.94023 5.93404 5.48118 11.4503 9.0676 5.9627 numMergedOcc 0
48 mol 265 unq 0 iso 0 dist 7.04833 10.7881 6.71375 16.8118 10.0732 8.984 numMergedOcc 0
49 mol 271 unq 0 iso 0 dist 9.56149 6.15348 9.70714 10.9613 8.66946 5.92274 numMergedOcc 0
50 mol 274 unq 0 iso 0 dist 6.55855 6.70266 9.45514 9.44134 6.52035 7.75216 numMergedOcc 0
51 mol 274 unq 1 iso 0 dist 6.55855 5.15747 6.39866 9.11072 6.16703 6.88827 numMergedOcc 0
52 mol 274 unq 2 iso 0 dist 6.55855 5.15747 6.39866 6.83113 5.64601 9.16942 numMergedOcc 0
53 mol 274 unq 3 iso 0 dist 9.52894 6.70266 7.1729 9.44134 5.71192 7.75216 numMergedOcc 0
54 mol 274 unq 4 iso 0 dist 9.71801 4.36131 8.52587 9.02071 6.20558 6.88827 numMergedOcc 0
55 mol 274 unq 5 iso 0 dist 9.71801 4.36131 8.52587 11.74 16.3619 9.16942 numMergedOcc 0
