0 mol 9 unq 0 iso 0 dist 9.78006 5.60154 8.04924 11.0722 5.55437 6.81435 5.84314 7.05919 3.91075 8.17486 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 8.63486 11.2318 8.98797 12.8132 6.91393 5.73443 6.15355 5.07125 6.43007 8.12964 numMergedOcc 0
2 mol 56 unq 1 iso 0 dist 8.63486 11.2318 8.98797 16.7219 8.40038 11.075 6.15355 5.07125 6.43007 11.6453 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 9.81831 8.58164 7.85041 11.6865 5.51624 9.97157 16.1023 7.8435 12.1673 4.97727 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 9.81831 8.58164 7.85041 11.6865 5.51624 9.97157 13.1721 5.99269 7.30779 5.77343 numMergedOcc 0
5 mol 93 unq 2 iso 0 dist 9.81831 8.58164 7.85041 11.6865 5.51624 9.97157 9.34182 5.71763 9.18194 11.0802 numMergedOcc 0
6 mol 93 unq 3 iso 0 dist 9.81831 8.58164 7.85041 12.2598 7.8674 8.01991 16.1023 7.8435 12.1673 13.8087 numMergedOcc 0
7 mol 93 unq 4 iso 0 dist 9.81831 8.58164 7.85041 12.2598 7.8674 8.01991 13.1721 5.99269 7.30779 9.96831 numMergedOcc 0
8 mol 93 unq 5 iso 0 dist 9.81831 8.58164 7.85041 12.2598 7.8674 8.01991 9.34182 5.71763 9.18194 5.33894 numMergedOcc 0
9 mol 93 unq 6 iso 0 dist 9.12858 9.67788 7.85041 7.64463 5.51624 9.97157 12.4934 7.8435 12.1673 4.97727 numMergedOcc 0
10 mol 93 unq 7 iso 0 dist 9.12858 9.67788 7.85041 7.64463 5.51624 9.97157 11.0537 5.99269 7.30779 5.77343 numMergedOcc 0
11 mol 93 unq 8 iso 0 dist 9.12858 9.67788 7.85041 7.64463 5.51624 9.97157 12.0103 5.71763 9.18194 11.0802 numMergedOcc 0
12 mol 93 unq 9 iso 0 dist 9.12858 9.67788 7.85041 14.8533 7.8674 8.01991 12.4934 7.8435 12.1673 13.8087 numMergedOcc 0
13 mol 93 unq 10 iso 0 dist 9.12858 9.67788 7.85041 14.8533 7.8674 8.01991 11.0537 5.99269 7.30779 9.96831 numMergedOcc 0
14 mol 93 unq 11 iso 0 dist 9.12858 9.67788 7.85041 14.8533 7.8674 8.01991 12.0103 5.71763 9.18194 5.33894 numMergedOcc 0
15 mol 93 unq 12 iso 0 dist 9.4523 5.33106 7.85041 8.29171 5.51624 9.97157 10.8106 7.8435 12.1673 4.97727 numMergedOcc 0
16 mol 93 unq 13 iso 0 dist 9.4523 5.33106 7.85041 8.29171 5.51624 9.97157 7.14217 5.99269 7.30779 5.77343 numMergedOcc 0
17 mol 93 unq 14 iso 0 dist 9.4523 5.33106 7.85041 8.29171 5.51624 9.97157 12.9351 5.71763 9.18194 11.0802 numMergedOcc 0
18 mol 93 unq 15 iso 0 dist 9.4523 5.33106 7.85041 12.7936 7.8674 8.01991 10.8106 7.8435 12.1673 13.8087 numMergedOcc 0
19 mol 93 unq 16 iso 0 dist 9.4523 5.33106 7.85041 12.7936 7.8674 8.01991 7.14217 5.99269 7.30779 9.96831 numMergedOcc 0
20 mol 93 unq 17 iso 0 dist 9.4523 5.33106 7.85041 12.7936 7.8674 8.01991 12.9351 5.71763 9.18194 5.33894 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 5.72642 11.7126 9.9928 7.21418 8.71286 6.03931 5.03039 8.4965 13.2709 8.80697 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 9.15431 7.71288 9.39683 7.21005 7.76594 12.4067 4.57579 6.78801 8.34485 4.24991 numMergedOcc 0
23 mol 131 unq 1 iso 0 dist 6.92648 4.89973 9.39683 11.5688 7.76594 12.4067 8.57203 6.78801 8.34485 4.24991 numMergedOcc 0
24 mol 131 unq 2 iso 0 dist 9.29384 7.00551 9.39683 15.7796 7.76594 12.4067 12.6005 6.78801 8.34485 4.24991 numMergedOcc 0
25 mol 147 unq 0 iso 0 dist 5.49226 5.08802 5.1101 9.02993 9.23528 6.29593 12.068 9.43989 11.4653 17.3765 numMergedOcc 0
26 mol 147 unq 1 iso 0 dist 5.49226 10.1972 7.01133 9.02993 9.23528 11.2831 12.068 9.43989 7.68412 17.3765 numMergedOcc 0
27 mol 147 unq 2 iso 0 dist 6.28351 8.59354 5.1101 14.4247 9.23528 6.29593 5.59468 9.43989 11.4653 17.3765 numMergedOcc 0
28 mol 147 unq 3 iso 0 dist 6.28351 8.54341 7.01133 14.4247 9.23528 11.2831 5.59468 9.43989 7.68412 17.3765 numMergedOcc 0
29 mol 171 unq 0 iso 0 dist 7.71426 8.08908 5.73148 4.44751 7.82546 7.48646 11.8244 9.13027 11.9654 8.8243 numMergedOcc 0
30 mol 171 unq 1 iso 0 dist 5.10618 6.05805 5.73148 9.61561 7.82546 7.48646 13.9189 9.13027 11.9654 8.8243 numMergedOcc 0
31 mol 171 unq 2 iso 0 dist 9.86681 8.83561 5.73148 10.2067 7.82546 7.48646 8.25926 9.13027 11.9654 8.8243 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 9.83476 13.1933 7.94153 6.87725 8.12349 7.0016 13.6744 7.04815 5.93479 9.57029 numMergedOcc 0
33 mol 186 unq 1 iso 0 dist 9.83476 13.1933 7.94153 6.87725 8.12349 7.0016 15.0914 6.07389 5.86306 10.8203 numMergedOcc 0
34 mol 194 unq 0 iso 0 dist 6.26839 15.9311 9.77862 6.66155 5.52678 12.0339 10.0756 5.53324 8.31541 5.28603 numMergedOcc 0
35 mol 194 unq 1 iso 0 dist 6.26839 15.9311 9.77862 6.66155 5.52678 12.0339 11.8031 6.72182 6.72001 9.8803 numMergedOcc 0
36 mol 194 unq 2 iso 0 dist 6.26839 15.9311 9.77862 5.4499 9.81666 18.7006 10.0756 5.53324 8.31541 11.0713 numMergedOcc 0
37 mol 194 unq 3 iso 0 dist 6.26839 15.9311 9.77862 5.4499 9.81666 18.7006 11.8031 6.72182 6.72001 15.9964 numMergedOcc 0
38 mol 194 unq 4 iso 0 dist 8.12346 13.7758 9.77862 6.12973 5.52678 12.0339 10.2793 5.53324 8.31541 5.28603 numMergedOcc 0
39 mol 194 unq 5 iso 0 dist 8.12346 13.7758 9.77862 6.12973 5.52678 12.0339 9.09233 6.72182 6.72001 9.8803 numMergedOcc 0
40 mol 194 unq 6 iso 0 dist 8.12346 13.7758 9.77862 11.0239 9.81666 18.7006 10.2793 5.53324 8.31541 11.0713 numMergedOcc 0
41 mol 194 unq 7 iso 0 dist 8.12346 13.7758 9.77862 11.0239 9.81666 18.7006 9.09233 6.72182 6.72001 15.9964 numMergedOcc 0
42 mol 194 unq 8 iso 0 dist 8.83356 5.38925 9.77862 13.0333 5.52678 12.0339 10.463 5.53324 8.31541 5.28603 numMergedOcc 0
43 mol 194 unq 9 iso 0 dist 8.83356 5.38925 9.77862 13.0333 5.52678 12.0339 4.66791 6.72182 6.72001 9.8803 numMergedOcc 0
44 mol 194 unq 10 iso 0 dist 8.83356 5.38925 9.77862 18.6469 9.81666 18.7006 10.463 5.53324 8.31541 11.0713 numMergedOcc 0
45 mol 194 unq 11 iso 0 dist 8.83356 5.38925 9.77862 18.6469 9.81666 18.7006 4.66791 6.72182 6.72001 15.9964 numMergedOcc 0
46 mol 194 unq 12 iso 0 dist 8.2654 14.2415 9.77862 10.1796 5.52678 12.0339 12.8494 5.53324 8.31541 5.28603 numMergedOcc 0
47 mol 194 unq 13 iso 0 dist 8.2654 14.2415 9.77862 10.1796 5.52678 12.0339 7.73551 6.72182 6.72001 9.8803 numMergedOcc 0
48 mol 194 unq 14 iso 0 dist 8.2654 14.2415 9.77862 13.5457 9.81666 18.7006 12.8494 5.53324 8.31541 11.0713 numMergedOcc 0
49 mol 194 unq 15 iso 0 dist 8.2654 14.2415 9.77862 13.5457 9.81666 18.7006 7.73551 6.72182 6.72001 15.9964 numMergedOcc 0
50 mol 225 unq 0 iso 0 dist 8.87609 5.06326 7.29542 11.5135 6.53728 7.13893 17.3148 9.87668 13.317 6.35462 numMergedOcc 0
51 mol 225 unq 1 iso 0 dist 8.87609 5.06326 7.29542 11.5135 6.53728 7.13893 13.3773 8.42121 10.43 5.94765 numMergedOcc 0
52 mol 225 unq 2 iso 0 dist 8.87609 5.06326 7.29542 11.5135 6.53728 7.13893 3.97158 7.8744 6.24324 11.6976 numMergedOcc 0
53 mol 225 unq 3 iso 0 dist 8.87609 5.06326 7.29542 11.5135 6.53728 7.13893 9.9875 4.98402 10.7885 11.2847 numMergedOcc 0
54 mol 227 unq 0 iso 0 dist 8.38865 9.60993 9.20589 10.5813 9.56257 8.84427 4.1511 5.28771 9.08701 11.2819 numMergedOcc 0
55 mol 227 unq 1 iso 0 dist 8.38865 13.3557 7.89801 10.5813 9.56257 5.95112 4.1511 5.28771 12.0749 11.2819 numMergedOcc 0
56 mol 227 unq 2 iso 0 dist 5.4694 5.34702 9.20589 7.22396 9.56257 8.84427 4.69247 5.28771 9.08701 11.2819 numMergedOcc 0
57 mol 227 unq 3 iso 0 dist 5.4694 8.8709 7.89801 7.22396 9.56257 5.95112 4.69247 5.28771 12.0749 11.2819 numMergedOcc 0
58 mol 227 unq 4 iso 0 dist 8.03442 6.43754 7.1372 11.0628 9.56257 5.92529 5.0317 9.43618 4.09934 7.3164 numMergedOcc 0
59 mol 237 unq 0 iso 0 dist 7.42587 5.54394 7.35569 13.1083 9.84466 16.0031 6.01528 8.7414 9.99177 9.39277 numMergedOcc 0
60 mol 237 unq 1 iso 0 dist 7.42587 5.54394 7.35569 6.23145 6.16557 10.1969 6.01528 8.7414 9.99177 5.1975 numMergedOcc 0
61 mol 237 unq 2 iso 0 dist 7.42587 5.54394 7.35569 7.11441 5.4813 7.50329 6.01528 8.7414 9.99177 5.69816 numMergedOcc 0
62 mol 238 unq 0 iso 0 dist 5.52379 11.6239 7.61203 14.1055 9.89583 10.6355 4.48415 6.53286 9.75095 13.0611 numMergedOcc 0
63 mol 238 unq 1 iso 0 dist 5.52379 13.9614 9.47845 14.1055 9.89583 6.48619 4.48415 6.53286 11.7938 13.0611 numMergedOcc 0
64 mol 238 unq 2 iso 0 dist 5.52379 12.3042 6.92409 14.1055 9.89583 5.8333 4.48415 6.53286 11.7709 13.0611 numMergedOcc 0
65 mol 238 unq 3 iso 0 dist 5.52379 5.54325 6.89694 14.1055 9.89583 16.1577 4.48415 6.53286 6.12722 13.0611 numMergedOcc 0
66 mol 264 unq 0 iso 0 dist 6.04162 8.16326 9.42738 6.84156 5.74568 8.79843 11.4167 7.14086 9.04569 7.36132 numMergedOcc 0
67 mol 264 unq 1 iso 0 dist 6.14323 12.3807 9.42738 9.37297 5.74568 8.79843 13.2035 7.14086 9.04569 7.36132 numMergedOcc 0
