0 mol 1 unq 0 iso 0 dist 8.26708 10.5521 7.73435 6.27888 7.27254 11.6921 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.26708 7.15595 5.71995 6.27888 7.27254 10.2632 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 6.09918 7.4817 7.73435 4.50502 7.27254 11.6921 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 6.09918 7.63941 5.71995 4.50502 7.27254 10.2632 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.78006 11.0722 5.55437 5.84314 7.05919 8.17486 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.72502 11.2106 9.40479 5.11636 8.24948 9.57743 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.72502 5.97304 9.38831 5.11636 8.24948 4.47891 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 9.93832 7.05402 7.31982 10.8828 7.24352 4.69849 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.60739 5.48048 7.31982 5.07458 7.24352 4.69849 numMergedOcc 0
9 mol 43 unq 2 iso 0 dist 8.44903 5.64171 7.31982 4.96926 7.15901 4.55347 numMergedOcc 0
10 mol 53 unq 0 iso 0 dist 7.09169 8.19773 4.75776 9.22034 6.2676 5.04054 numMergedOcc 0
11 mol 56 unq 0 iso 0 dist 8.63486 12.8132 6.91393 6.15355 5.07125 8.12964 numMergedOcc 0
12 mol 56 unq 1 iso 0 dist 8.63486 16.7219 8.40038 6.15355 5.07125 11.6453 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 8.03303 8.92736 8.58543 8.96557 7.69861 5.24993 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 9.81831 11.6865 5.51624 16.1023 7.8435 4.97727 numMergedOcc 0
15 mol 93 unq 1 iso 0 dist 9.81831 11.6865 5.51624 13.1721 5.99269 5.77343 numMergedOcc 0
16 mol 93 unq 2 iso 0 dist 9.81831 11.6865 5.51624 9.34182 5.71763 11.0802 numMergedOcc 0
17 mol 93 unq 3 iso 0 dist 9.81831 12.2598 7.8674 16.1023 7.8435 13.8087 numMergedOcc 0
18 mol 93 unq 4 iso 0 dist 9.81831 12.2598 7.8674 13.1721 5.99269 9.96831 numMergedOcc 0
19 mol 93 unq 5 iso 0 dist 9.81831 12.2598 7.8674 9.34182 5.71763 5.33894 numMergedOcc 0
20 mol 93 unq 6 iso 0 dist 9.12858 7.64463 5.51624 12.4934 7.8435 4.97727 numMergedOcc 0
21 mol 93 unq 7 iso 0 dist 9.12858 7.64463 5.51624 11.0537 5.99269 5.77343 numMergedOcc 0
22 mol 93 unq 8 iso 0 dist 9.12858 7.64463 5.51624 12.0103 5.71763 11.0802 numMergedOcc 0
23 mol 93 unq 9 iso 0 dist 9.12858 14.8533 7.8674 12.4934 7.8435 13.8087 numMergedOcc 0
24 mol 93 unq 10 iso 0 dist 9.12858 14.8533 7.8674 11.0537 5.99269 9.96831 numMergedOcc 0
25 mol 93 unq 11 iso 0 dist 9.12858 14.8533 7.8674 12.0103 5.71763 5.33894 numMergedOcc 0
26 mol 93 unq 12 iso 0 dist 9.4523 8.29171 5.51624 10.8106 7.8435 4.97727 numMergedOcc 0
27 mol 93 unq 13 iso 0 dist 9.4523 8.29171 5.51624 7.14217 5.99269 5.77343 numMergedOcc 0
28 mol 93 unq 14 iso 0 dist 9.4523 8.29171 5.51624 12.9351 5.71763 11.0802 numMergedOcc 0
29 mol 93 unq 15 iso 0 dist 9.4523 12.7936 7.8674 10.8106 7.8435 13.8087 numMergedOcc 0
30 mol 93 unq 16 iso 0 dist 9.4523 12.7936 7.8674 7.14217 5.99269 9.96831 numMergedOcc 0
31 mol 93 unq 17 iso 0 dist 9.4523 12.7936 7.8674 12.9351 5.71763 5.33894 numMergedOcc 0
32 mol 115 unq 0 iso 0 dist 5.72642 7.21418 8.71286 5.03039 8.4965 8.80697 numMergedOcc 0
33 mol 119 unq 0 iso 0 dist 7.77116 4.91132 8.03035 6.9194 9.6121 6.71103 numMergedOcc 0
34 mol 119 unq 1 iso 0 dist 7.77116 4.91132 8.03035 9.68677 9.57341 6.29394 numMergedOcc 0
35 mol 119 unq 2 iso 0 dist 7.77116 6.08167 7.6968 6.9194 9.6121 12.4868 numMergedOcc 0
36 mol 119 unq 3 iso 0 dist 7.77116 6.08167 7.6968 9.68677 9.57341 9.64502 numMergedOcc 0
37 mol 131 unq 0 iso 0 dist 9.15431 7.21005 7.76594 4.57579 6.78801 4.24991 numMergedOcc 0
38 mol 131 unq 1 iso 0 dist 6.92648 11.5688 7.76594 8.57203 6.78801 4.24991 numMergedOcc 0
39 mol 131 unq 2 iso 0 dist 9.29384 15.7796 7.76594 12.6005 6.78801 4.24991 numMergedOcc 0
40 mol 140 unq 0 iso 0 dist 5.39064 8.83949 6.98813 4.91618 7.19291 7.10913 numMergedOcc 0
41 mol 140 unq 1 iso 0 dist 5.39064 8.83949 6.98813 4.75859 6.66504 6.30391 numMergedOcc 0
42 mol 141 unq 0 iso 0 dist 6.69515 9.76015 8.26172 13.2918 6.77921 10.2834 numMergedOcc 0
43 mol 141 unq 1 iso 0 dist 7.86572 8.24418 8.26172 13.4066 6.77921 10.2834 numMergedOcc 0
44 mol 147 unq 0 iso 0 dist 5.49226 9.02993 9.23528 12.068 9.43989 17.3765 numMergedOcc 0
45 mol 147 unq 1 iso 0 dist 6.28351 14.4247 9.23528 5.59468 9.43989 17.3765 numMergedOcc 0
46 mol 152 unq 0 iso 0 dist 9.77552 7.2238 6.39031 12.4535 6.92726 5.55763 numMergedOcc 0
47 mol 152 unq 1 iso 0 dist 8.28642 5.59336 6.39031 9.84297 6.92726 5.55763 numMergedOcc 0
48 mol 152 unq 2 iso 0 dist 8.35555 7.78913 8.60521 4.94983 7.1069 10.6183 numMergedOcc 0
49 mol 152 unq 3 iso 0 dist 8.35555 5.70788 6.39031 4.94983 7.1069 4.71678 numMergedOcc 0
50 mol 171 unq 0 iso 0 dist 9.11712 8.26419 9.75627 4.00127 8.999 6.1593 numMergedOcc 0
51 mol 171 unq 1 iso 0 dist 7.71426 4.44751 7.82546 11.8244 9.13027 8.8243 numMergedOcc 0
52 mol 171 unq 2 iso 0 dist 5.10618 9.61561 7.82546 13.9189 9.13027 8.8243 numMergedOcc 0
53 mol 171 unq 3 iso 0 dist 9.86681 10.2067 7.82546 8.25926 9.13027 8.8243 numMergedOcc 0
54 mol 186 unq 0 iso 0 dist 9.56197 9.27818 7.55358 6.89047 8.57801 13.0608 numMergedOcc 0
55 mol 186 unq 1 iso 0 dist 9.56197 9.55926 7.60991 6.89047 8.57801 11.868 numMergedOcc 0
56 mol 186 unq 2 iso 0 dist 7.24795 13.0197 7.55358 3.90244 8.57801 13.0608 numMergedOcc 0
57 mol 186 unq 3 iso 0 dist 7.24795 12.9082 7.60991 3.90244 8.57801 11.868 numMergedOcc 0
58 mol 186 unq 4 iso 0 dist 8.64409 4.37002 7.55358 12.6058 8.57801 13.0608 numMergedOcc 0
59 mol 186 unq 5 iso 0 dist 8.64409 4.64235 7.60991 12.6058 8.57801 11.868 numMergedOcc 0
60 mol 186 unq 6 iso 0 dist 7.60202 9.72941 7.55358 7.21555 8.57801 13.0608 numMergedOcc 0
61 mol 186 unq 7 iso 0 dist 7.60202 5.39885 7.60991 7.21555 8.57801 11.868 numMergedOcc 0
62 mol 186 unq 8 iso 0 dist 9.83476 6.87725 8.12349 13.6744 7.04815 9.57029 numMergedOcc 0
63 mol 186 unq 9 iso 0 dist 9.83476 6.87725 8.12349 15.0914 6.07389 10.8203 numMergedOcc 0
64 mol 194 unq 0 iso 0 dist 6.26839 6.66155 5.52678 10.0756 5.53324 5.28603 numMergedOcc 0
65 mol 194 unq 1 iso 0 dist 6.26839 6.66155 5.52678 11.8031 6.72182 9.8803 numMergedOcc 0
66 mol 194 unq 2 iso 0 dist 6.26839 5.4499 9.81666 10.0756 5.53324 11.0713 numMergedOcc 0
67 mol 194 unq 3 iso 0 dist 6.26839 5.4499 9.81666 11.8031 6.72182 15.9964 numMergedOcc 0
68 mol 194 unq 4 iso 0 dist 8.12346 6.12973 5.52678 10.2793 5.53324 5.28603 numMergedOcc 0
69 mol 194 unq 5 iso 0 dist 8.12346 6.12973 5.52678 9.09233 6.72182 9.8803 numMergedOcc 0
70 mol 194 unq 6 iso 0 dist 8.12346 11.0239 9.81666 10.2793 5.53324 11.0713 numMergedOcc 0
71 mol 194 unq 7 iso 0 dist 8.12346 11.0239 9.81666 9.09233 6.72182 15.9964 numMergedOcc 0
72 mol 194 unq 8 iso 0 dist 8.83356 13.0333 5.52678 10.463 5.53324 5.28603 numMergedOcc 0
73 mol 194 unq 9 iso 0 dist 8.83356 13.0333 5.52678 4.66791 6.72182 9.8803 numMergedOcc 0
74 mol 194 unq 10 iso 0 dist 8.83356 18.6469 9.81666 10.463 5.53324 11.0713 numMergedOcc 0
75 mol 194 unq 11 iso 0 dist 8.83356 18.6469 9.81666 4.66791 6.72182 15.9964 numMergedOcc 0
76 mol 194 unq 12 iso 0 dist 8.2654 10.1796 5.52678 12.8494 5.53324 5.28603 numMergedOcc 0
77 mol 194 unq 13 iso 0 dist 8.2654 10.1796 5.52678 7.73551 6.72182 9.8803 numMergedOcc 0
78 mol 194 unq 14 iso 0 dist 8.2654 13.5457 9.81666 12.8494 5.53324 11.0713 numMergedOcc 0
79 mol 194 unq 15 iso 0 dist 8.2654 13.5457 9.81666 7.73551 6.72182 15.9964 numMergedOcc 0
80 mol 218 unq 0 iso 0 dist 8.86175 9.46742 9.06334 3.8877 8.04838 7.92114 numMergedOcc 0
81 mol 218 unq 1 iso 0 dist 6.29511 11.438 9.06334 6.0516 8.04838 7.92114 numMergedOcc 0
82 mol 225 unq 0 iso 0 dist 8.87609 11.5135 6.53728 17.3148 9.87668 6.35462 numMergedOcc 0
83 mol 225 unq 1 iso 0 dist 8.87609 11.5135 6.53728 13.3773 8.42121 5.94765 numMergedOcc 0
84 mol 225 unq 2 iso 0 dist 8.87609 11.5135 6.53728 3.97158 7.8744 11.6976 numMergedOcc 0
85 mol 225 unq 3 iso 0 dist 8.87609 11.5135 6.53728 9.9875 4.98402 11.2847 numMergedOcc 0
86 mol 227 unq 0 iso 0 dist 8.38865 10.5813 9.56257 4.1511 5.28771 11.2819 numMergedOcc 0
87 mol 227 unq 1 iso 0 dist 5.4694 7.22396 9.56257 4.69247 5.28771 11.2819 numMergedOcc 0
88 mol 227 unq 2 iso 0 dist 8.03442 11.0628 9.56257 5.0317 9.43618 7.3164 numMergedOcc 0
89 mol 237 unq 0 iso 0 dist 7.42587 13.1083 9.84466 6.01528 8.7414 9.39277 numMergedOcc 0
90 mol 237 unq 1 iso 0 dist 7.42587 6.23145 6.16557 6.01528 8.7414 5.1975 numMergedOcc 0
91 mol 237 unq 2 iso 0 dist 7.42587 7.11441 5.4813 6.01528 8.7414 5.69816 numMergedOcc 0
92 mol 238 unq 0 iso 0 dist 5.52379 14.1055 9.89583 4.48415 6.53286 13.0611 numMergedOcc 0
93 mol 251 unq 0 iso 0 dist 8.01198 6.6269 8.53757 4.86046 6.42747 8.08775 numMergedOcc 0
94 mol 252 unq 0 iso 0 dist 6.53679 6.28227 8.55481 5.6214 5.9974 4.34126 numMergedOcc 0
95 mol 252 unq 1 iso 0 dist 7.50201 5.25252 8.55481 7.40852 5.9974 4.34126 numMergedOcc 0
96 mol 264 unq 0 iso 0 dist 7.52281 4.48907 5.74568 5.71153 6.02757 5.82131 numMergedOcc 0
97 mol 264 unq 1 iso 0 dist 7.52281 4.48907 5.74568 6.87635 8.67231 9.58444 numMergedOcc 0
98 mol 264 unq 2 iso 0 dist 6.42588 10.1591 5.74568 6.56539 6.02757 5.82131 numMergedOcc 0
99 mol 264 unq 3 iso 0 dist 6.42588 10.1591 5.74568 4.76241 8.67231 9.58444 numMergedOcc 0
100 mol 264 unq 4 iso 0 dist 6.04162 6.84156 5.74568 11.4167 7.14086 7.36132 numMergedOcc 0
101 mol 264 unq 5 iso 0 dist 6.14323 9.37297 5.74568 13.2035 7.14086 7.36132 numMergedOcc 0
