0 mol 7 unq 0 iso 0 dist 9.8603 15.8072 8.72114 11.4767 6.34041 6.14469 17.7278 11.0773 8.43473 6.7985 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.8603 15.8072 8.72114 11.4767 6.34041 6.14469 19.4516 10.5461 5.03847 9.68596 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.46229 9.93406 7.32257 13.6879 8.50424 7.35972 18.4255 15.1483 16.147 9.62394 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 5.95165 4.46394 5.96346 11.7593 10.7734 7.98326 15.3306 14.7815 10.9183 6.35398 numMergedOcc 0
4 mol 11 unq 1 iso 0 dist 5.7435 4.24301 6.35398 11.4417 10.9183 7.98326 14.961 14.7815 10.7734 5.96346 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 9.54519 12.1061 8.4051 18.4559 12.176 6.72323 18.4381 15.5324 8.52463 9.41441 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.54519 12.1061 8.4051 18.4559 12.176 6.72323 13.2653 5.54419 5.11617 6.73939 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 6.11056 11.095 8.60554 16.6031 14.012 6.72323 10.4744 8.86116 8.52463 9.41441 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 6.11056 11.095 8.60554 16.6031 14.012 6.72323 14.0772 13.2433 5.11617 6.73939 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 8.40051 4.32173 6.16347 8.78181 6.08585 6.25843 5.8503 11.9561 7.33728 8.87757 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 8.40051 4.32173 6.16347 8.78181 6.08585 6.25843 13.466 7.57578 9.34396 8.50222 numMergedOcc 0
11 mol 25 unq 2 iso 0 dist 8.40051 4.32173 6.16347 8.78181 6.08585 6.25843 14.4191 7.17969 10.8498 7.55264 numMergedOcc 0
12 mol 25 unq 3 iso 0 dist 8.6396 4.32173 7.45383 8.78181 5.77929 6.25843 5.8503 5.04899 7.33728 8.87757 numMergedOcc 0
13 mol 25 unq 4 iso 0 dist 8.6396 4.32173 7.45383 8.78181 5.77929 6.25843 13.466 12.7009 9.34396 8.50222 numMergedOcc 0
14 mol 25 unq 5 iso 0 dist 8.6396 4.32173 7.45383 8.78181 5.77929 6.25843 14.4191 12.8117 10.8498 7.55264 numMergedOcc 0
15 mol 25 unq 6 iso 0 dist 8.6396 16.0077 9.01548 8.78181 5.77929 8.88938 5.8503 5.04899 13.9331 8.87757 numMergedOcc 0
16 mol 25 unq 7 iso 0 dist 8.6396 16.0077 9.01548 8.78181 5.77929 8.88938 13.466 12.7009 10.5328 8.50222 numMergedOcc 0
17 mol 25 unq 8 iso 0 dist 8.6396 16.0077 9.01548 8.78181 5.77929 8.88938 14.4191 12.8117 10.4337 7.55264 numMergedOcc 0
18 mol 25 unq 9 iso 0 dist 8.88413 10.7087 7.55264 11.6272 10.8498 6.25843 5.59268 7.17969 6.08585 6.16347 numMergedOcc 0
19 mol 25 unq 10 iso 0 dist 8.88413 10.7087 7.55264 11.6272 10.8498 6.25843 16.046 12.8117 5.77929 7.45383 numMergedOcc 0
20 mol 25 unq 11 iso 0 dist 8.88413 10.7087 7.55264 18.0075 10.4337 8.88938 16.046 12.8117 5.77929 9.01548 numMergedOcc 0
21 mol 91 unq 0 iso 0 dist 9.3931 5.09984 5.73743 13.3355 10.1024 8.66165 5.43364 10.2307 4.57085 9.30539 numMergedOcc 0
22 mol 98 unq 0 iso 0 dist 5.9747 7.43001 6.65501 10.9995 7.06961 6.88901 4.75138 5.08437 4.4057 6.7117 numMergedOcc 0
23 mol 98 unq 1 iso 0 dist 5.9747 7.43001 6.65501 10.9995 7.06961 6.88901 11.3628 6.10456 9.67482 4.47349 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 5.9747 7.43001 6.65501 10.9995 7.06961 6.88901 13.9599 10.1136 12.0974 5.65185 numMergedOcc 0
25 mol 98 unq 3 iso 0 dist 4.50572 9.5305 6.65501 11.1541 7.06961 6.88901 6.88489 5.08437 4.4057 6.7117 numMergedOcc 0
26 mol 98 unq 4 iso 0 dist 4.50572 9.5305 6.65501 11.1541 7.06961 6.88901 9.82583 6.10456 9.67482 4.47349 numMergedOcc 0
27 mol 98 unq 5 iso 0 dist 4.50572 9.5305 6.65501 11.1541 7.06961 6.88901 13.2337 10.1136 12.0974 5.65185 numMergedOcc 0
28 mol 129 unq 0 iso 0 dist 6.38163 7.03404 6.28565 12.672 10.7293 9.73158 10.0961 5.83384 4.55551 9.36851 numMergedOcc 0
29 mol 129 unq 1 iso 0 dist 6.38163 7.03404 6.28565 11.6466 7.29399 7.59327 10.0961 5.83384 4.55551 4.97175 numMergedOcc 0
30 mol 171 unq 0 iso 0 dist 6.07091 4.98945 9.61462 8.81813 11.5561 5.25109 7.57446 13.05 4.78075 6.64834 numMergedOcc 0
31 mol 171 unq 1 iso 0 dist 6.07091 4.98945 9.61462 8.81813 11.5561 5.25109 10.7614 14.9792 7.9651 5.93786 numMergedOcc 0
32 mol 171 unq 2 iso 0 dist 6.07091 4.98945 9.61462 8.81813 11.5561 5.25109 14.5538 16.2078 12.6853 8.24693 numMergedOcc 0
33 mol 171 unq 3 iso 0 dist 6.07091 4.98945 9.61462 8.81813 11.5561 5.25109 10.5731 15.4802 5.90026 7.36698 numMergedOcc 0
34 mol 171 unq 4 iso 0 dist 6.07091 4.98945 9.61462 10.1083 10.844 8.21618 10.7614 14.9792 7.9651 8.1344 numMergedOcc 0
35 mol 171 unq 5 iso 0 dist 6.07091 4.98945 9.61462 10.1083 10.844 8.21618 14.5538 16.2078 12.6853 6.71356 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 9.58911 12.0718 6.22122 13.2834 6.06566 7.32087 17.6006 10.9639 7.81713 6.46704 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 9.58911 12.0718 6.22122 15.9008 13.0409 8.86197 17.6006 10.9639 7.81713 6.59025 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 7.70279 6.36084 8.50102 7.83422 12.3508 9.8664 9.60401 10.5803 4.9377 9.05071 numMergedOcc 0
39 mol 232 unq 1 iso 0 dist 9.29752 6.36084 9.40808 7.83422 8.80479 9.8664 9.60401 8.27212 4.9377 9.05071 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 9.32451 16.2294 8.94014 11.4318 5.50308 5.92374 17.7142 13.9668 8.1195 8.69104 numMergedOcc 0
41 mol 271 unq 0 iso 0 dist 9.56149 6.15348 9.70714 10.9613 8.66946 5.92274 10.4126 15.085 5.53238 8.98576 numMergedOcc 0
42 mol 271 unq 1 iso 0 dist 9.56149 6.15348 9.70714 10.9613 8.66946 5.92274 14.3373 16.6378 9.1619 8.92636 numMergedOcc 0
43 mol 274 unq 0 iso 0 dist 6.55855 5.15747 6.39866 9.11072 6.16703 6.88827 9.85454 11.3168 5.29529 9.85289 numMergedOcc 0
44 mol 274 unq 1 iso 0 dist 9.71801 4.36131 8.52587 9.02071 6.20558 6.88827 5.9882 7.56915 5.29529 9.85289 numMergedOcc 0
