0 mol 8 unq 0 iso 0 dist 6.82379 7.03958 5.65816 13.7792 8.94096 14.4294 5.7531 7.12263 7.27018 14.5611 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.82379 7.03958 5.65816 13.7792 8.94096 14.4294 11.0223 5.00267 9.94625 6.69972 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 6.82379 7.03958 5.65816 15.4959 9.07858 11.4415 5.7531 7.12263 7.27018 12.9762 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 6.82379 7.03958 5.65816 15.4959 9.07858 11.4415 11.0223 5.00267 9.94625 6.3125 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 7.3915 8.53529 5.65816 12.8924 8.94096 14.4294 8.79272 7.12263 7.27018 14.5611 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 7.3915 8.53529 5.65816 12.8924 8.94096 14.4294 6.32152 5.00267 9.94625 6.69972 numMergedOcc 0
6 mol 8 unq 6 iso 0 dist 7.3915 8.53529 5.65816 4.85329 9.07858 11.4415 8.79272 7.12263 7.27018 12.9762 numMergedOcc 0
7 mol 8 unq 7 iso 0 dist 7.3915 8.53529 5.65816 4.85329 9.07858 11.4415 6.32152 5.00267 9.94625 6.3125 numMergedOcc 0
8 mol 9 unq 0 iso 0 dist 7.05346 7.32257 8.88528 13.5628 9.82483 11.6997 6.119 5.55437 10.7921 10.4204 numMergedOcc 0
9 mol 9 unq 1 iso 0 dist 9.78006 9.62394 7.28672 5.60154 8.04924 9.57198 11.0722 5.55437 8.076 6.81435 numMergedOcc 0
10 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 5.39241 8.62284 13.2857 6.58998 9.38831 11.5841 11.3767 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 8.65802 7.52354 5.8102 12.3813 9.20197 14.3836 12.1157 8.03028 12.8873 4.35316 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 8.65802 7.52354 5.8102 12.3813 9.20197 14.3836 7.23437 7.39754 8.29345 10.4552 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 7.99857 9.11344 6.96805 6.35763 9.87025 11.1099 4.99056 8.03035 8.8562 11.1324 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 7.99857 9.11344 6.96805 7.36192 5.85818 11.8717 4.99056 8.03035 8.8562 8.96522 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 8.56342 6.52773 6.96805 10.0197 9.87025 11.1099 3.78311 8.03035 8.8562 11.1324 numMergedOcc 0
16 mol 119 unq 3 iso 0 dist 8.56342 6.52773 6.96805 10.6679 5.85818 11.8717 3.78311 8.03035 8.8562 8.96522 numMergedOcc 0
17 mol 119 unq 4 iso 0 dist 8.56342 9.23858 13.3975 10.0197 9.87025 18.7646 3.78311 8.03035 7.91683 11.1324 numMergedOcc 0
18 mol 119 unq 5 iso 0 dist 8.56342 9.23858 13.3975 10.6679 5.85818 15.8603 3.78311 8.03035 7.91683 8.96522 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 7.00551 9.39683 10.9721 15.7796 7.76594 15.3401 12.4067 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 9.29384 9.25558 11.2516 7.00551 9.39683 14.9787 15.7796 7.76594 18.9021 12.4067 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 8.41611 7.78652 15.0801 5.44503 6.40901 13.204 10.8441 5.73236 17.8758 7.12863 numMergedOcc 0
22 mol 143 unq 1 iso 0 dist 8.41611 8.91301 15.0315 5.44503 6.40901 13.8861 10.8441 5.73236 17.012 7.12863 numMergedOcc 0
23 mol 156 unq 0 iso 0 dist 7.73169 7.30357 8.40261 5.07967 7.04913 7.30946 5.82636 4.9941 10.6589 6.6213 numMergedOcc 0
24 mol 156 unq 1 iso 0 dist 7.73169 8.61587 12.8796 5.07967 7.04913 11.3161 5.82636 4.9941 13.5954 6.6213 numMergedOcc 0
25 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 8.08908 5.73148 10.4506 4.44751 7.82546 7.32555 7.48646 numMergedOcc 0
26 mol 171 unq 1 iso 0 dist 7.71426 8.1344 5.90358 8.08908 5.73148 10.7861 4.44751 7.82546 10.3097 7.48646 numMergedOcc 0
27 mol 171 unq 2 iso 0 dist 5.10618 8.24693 6.29877 6.05805 5.73148 10.4506 9.61561 7.82546 7.32555 7.48646 numMergedOcc 0
28 mol 171 unq 3 iso 0 dist 5.10618 6.71356 5.90358 6.05805 5.73148 10.7861 9.61561 7.82546 10.3097 7.48646 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 6.72641 7.76163 6.71237 10.5203 9.59034 9.84492 8.12143 7.23293 12.1418 8.37278 numMergedOcc 0
30 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 15.9311 9.77862 11.6497 6.66155 5.52678 6.37788 12.0339 numMergedOcc 0
31 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 15.9311 9.77862 11.6497 5.4499 9.81666 8.7028 18.7006 numMergedOcc 0
32 mol 194 unq 2 iso 0 dist 8.83356 8.29382 12.361 5.38925 9.77862 13.132 13.0333 5.52678 17.8402 12.0339 numMergedOcc 0
33 mol 194 unq 3 iso 0 dist 8.83356 8.29382 12.361 5.38925 9.77862 13.132 18.6469 9.81666 20.7484 18.7006 numMergedOcc 0
34 mol 194 unq 4 iso 0 dist 8.83356 6.72379 7.50057 5.38925 9.77862 9.3402 13.0333 5.52678 12.6186 12.0339 numMergedOcc 0
35 mol 194 unq 5 iso 0 dist 8.83356 6.72379 7.50057 5.38925 9.77862 9.3402 18.6469 9.81666 15.8032 18.7006 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 8.03442 7.43071 12.8075 6.43754 7.1372 12.2922 11.0628 9.56257 14.3567 5.92529 numMergedOcc 0
37 mol 227 unq 1 iso 0 dist 8.03442 5.41321 4.59123 6.43754 7.1372 7.57454 11.0628 9.56257 12.135 5.92529 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 6.66971 7.57812 4.77308 13.0842 9.42618 6.87131 10.7508 9.89583 14.4327 18.0054 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 6.66971 8.69104 10.2777 13.0842 9.42618 9.69818 10.7508 9.89583 18.559 18.0054 numMergedOcc 0
40 mol 238 unq 2 iso 0 dist 7.32982 9.24557 4.77308 8.85181 9.42618 6.87131 10.7551 9.89583 14.4327 18.0054 numMergedOcc 0
41 mol 238 unq 3 iso 0 dist 5.52379 7.10685 5.83386 11.6239 7.61203 13.0987 14.1055 9.89583 12.8056 10.6355 numMergedOcc 0
42 mol 238 unq 4 iso 0 dist 5.52379 7.10685 5.83386 13.9614 9.47845 14.4678 14.1055 9.89583 12.8056 6.48619 numMergedOcc 0
43 mol 238 unq 5 iso 0 dist 5.52379 7.10685 5.83386 12.3042 6.92409 10.6749 14.1055 9.89583 12.8056 5.8333 numMergedOcc 0
44 mol 238 unq 6 iso 0 dist 5.52379 7.10685 5.83386 5.54325 6.89694 10.1326 14.1055 9.89583 12.8056 16.1577 numMergedOcc 0
45 mol 240 unq 0 iso 0 dist 9.47583 6.68687 15.5587 10.7371 8.33853 17.0428 10.6074 9.53915 16.0268 4.4268 numMergedOcc 0
46 mol 240 unq 1 iso 0 dist 9.47583 6.68687 15.5587 13.9225 5.66537 20.2034 10.6074 9.53915 16.0268 8.76585 numMergedOcc 0
