0 mol 8 unq 0 iso 0 dist 6.82379 6.94408 6.24978 13.7792 8.94096 10.6893 4.94497 8.77457 5.61772 12.7056 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 6.24978 6.94408 6.82379 10.6893 8.94096 13.7792 5.61772 8.77457 4.94497 12.7056 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.82379 6.94408 6.24978 15.4959 9.07858 12.0818 4.94497 8.77457 5.61772 16.8602 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 6.24978 6.94408 6.82379 12.0818 9.07858 15.4959 5.61772 8.77457 4.94497 16.8602 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 6.82379 11.2508 9.66439 13.7792 8.94096 13.8882 4.94497 8.77457 10.4848 12.7056 numMergedOcc 0
5 mol 8 unq 2 iso 1 dist 9.66439 11.2508 6.82379 13.8882 8.94096 13.7792 10.4848 8.77457 4.94497 12.7056 numMergedOcc 0
6 mol 8 unq 3 iso 0 dist 6.82379 11.2508 9.66439 15.4959 9.07858 11.4738 4.94497 8.77457 10.4848 16.8602 numMergedOcc 0
7 mol 8 unq 3 iso 1 dist 9.66439 11.2508 6.82379 11.4738 9.07858 15.4959 10.4848 8.77457 4.94497 16.8602 numMergedOcc 0
8 mol 8 unq 4 iso 0 dist 6.82379 12.4076 7.3915 13.7792 8.94096 12.8924 4.94497 8.77457 14.1378 12.7056 numMergedOcc 0
9 mol 8 unq 4 iso 1 dist 7.3915 12.4076 6.82379 12.8924 8.94096 13.7792 14.1378 8.77457 4.94497 12.7056 numMergedOcc 0
10 mol 8 unq 5 iso 0 dist 6.82379 12.4076 7.3915 15.4959 9.07858 4.85329 4.94497 8.77457 14.1378 16.8602 numMergedOcc 0
11 mol 8 unq 5 iso 1 dist 7.3915 12.4076 6.82379 4.85329 9.07858 15.4959 14.1378 8.77457 4.94497 16.8602 numMergedOcc 0
12 mol 8 unq 2 iso 0 dist 6.24978 5.3787 9.66439 10.6893 8.94096 13.8882 5.61772 8.77457 10.4848 12.7056 numMergedOcc 0
13 mol 8 unq 2 iso 1 dist 9.66439 5.3787 6.24978 13.8882 8.94096 10.6893 10.4848 8.77457 5.61772 12.7056 numMergedOcc 0
14 mol 8 unq 3 iso 0 dist 6.24978 5.3787 9.66439 12.0818 9.07858 11.4738 5.61772 8.77457 10.4848 16.8602 numMergedOcc 0
15 mol 8 unq 3 iso 1 dist 9.66439 5.3787 6.24978 11.4738 9.07858 12.0818 10.4848 8.77457 5.61772 16.8602 numMergedOcc 0
16 mol 8 unq 4 iso 0 dist 6.24978 9.22548 7.3915 10.6893 8.94096 12.8924 5.61772 8.77457 14.1378 12.7056 numMergedOcc 0
17 mol 8 unq 4 iso 1 dist 7.3915 9.22548 6.24978 12.8924 8.94096 10.6893 14.1378 8.77457 5.61772 12.7056 numMergedOcc 0
18 mol 8 unq 5 iso 0 dist 6.24978 9.22548 7.3915 12.0818 9.07858 4.85329 5.61772 8.77457 14.1378 16.8602 numMergedOcc 0
19 mol 8 unq 5 iso 1 dist 7.3915 9.22548 6.24978 4.85329 9.07858 12.0818 14.1378 8.77457 5.61772 16.8602 numMergedOcc 0
20 mol 8 unq 4 iso 0 dist 9.66439 7.96511 7.3915 13.8882 8.94096 12.8924 10.4848 8.77457 14.1378 12.7056 numMergedOcc 0
21 mol 8 unq 4 iso 1 dist 7.3915 7.96511 9.66439 12.8924 8.94096 13.8882 14.1378 8.77457 10.4848 12.7056 numMergedOcc 0
22 mol 8 unq 5 iso 0 dist 9.66439 7.96511 7.3915 11.4738 9.07858 4.85329 10.4848 8.77457 14.1378 16.8602 numMergedOcc 0
23 mol 8 unq 5 iso 1 dist 7.3915 7.96511 9.66439 4.85329 9.07858 11.4738 14.1378 8.77457 10.4848 16.8602 numMergedOcc 0
24 mol 13 unq 0 iso 0 dist 5.78148 5.94592 6.26071 13.1699 8.00865 10.5634 4.56335 7.98679 8.87621 15.907 numMergedOcc 0
25 mol 13 unq 0 iso 1 dist 6.26071 5.94592 5.78148 10.5634 8.00865 13.1699 8.87621 7.98679 4.56335 15.907 numMergedOcc 0
26 mol 13 unq 1 iso 0 dist 5.78148 5.94592 6.26071 11.1987 9.11447 12.0488 4.56335 7.98679 8.87621 15.0129 numMergedOcc 0
27 mol 13 unq 1 iso 1 dist 6.26071 5.94592 5.78148 12.0488 9.11447 11.1987 8.87621 7.98679 4.56335 15.0129 numMergedOcc 0
28 mol 13 unq 2 iso 0 dist 5.78148 10.8906 8.43325 13.1699 8.00865 8.66829 4.56335 7.98679 12.9999 15.907 numMergedOcc 0
29 mol 13 unq 2 iso 1 dist 8.43325 10.8906 5.78148 8.66829 8.00865 13.1699 12.9999 7.98679 4.56335 15.907 numMergedOcc 0
30 mol 13 unq 3 iso 0 dist 5.78148 10.8906 8.43325 11.1987 9.11447 14.2112 4.56335 7.98679 12.9999 15.0129 numMergedOcc 0
31 mol 13 unq 3 iso 1 dist 8.43325 10.8906 5.78148 14.2112 9.11447 11.1987 12.9999 7.98679 4.56335 15.0129 numMergedOcc 0
32 mol 13 unq 2 iso 0 dist 6.26071 5.43688 8.43325 10.5634 8.00865 8.66829 8.87621 7.98679 12.9999 15.907 numMergedOcc 0
33 mol 13 unq 2 iso 1 dist 8.43325 5.43688 6.26071 8.66829 8.00865 10.5634 12.9999 7.98679 8.87621 15.907 numMergedOcc 0
34 mol 13 unq 3 iso 0 dist 6.26071 5.43688 8.43325 12.0488 9.11447 14.2112 8.87621 7.98679 12.9999 15.0129 numMergedOcc 0
35 mol 13 unq 3 iso 1 dist 8.43325 5.43688 6.26071 14.2112 9.11447 12.0488 12.9999 7.98679 8.87621 15.0129 numMergedOcc 0
36 mol 24 unq 0 iso 0 dist 6.60423 7.05502 7.83786 5.39241 8.62284 4.51549 4.32034 9.69752 9.6469 5.90981 numMergedOcc 0
37 mol 24 unq 0 iso 1 dist 7.83786 7.05502 6.60423 4.51549 8.62284 5.39241 9.6469 9.69752 4.32034 5.90981 numMergedOcc 0
38 mol 24 unq 1 iso 0 dist 6.60423 7.05502 7.83786 5.39241 8.62284 4.51549 8.52463 9.36461 14.6654 13.719 numMergedOcc 0
39 mol 24 unq 1 iso 1 dist 7.83786 7.05502 6.60423 4.51549 8.62284 5.39241 14.6654 9.36461 8.52463 13.719 numMergedOcc 0
40 mol 93 unq 0 iso 0 dist 9.81831 6.30447 9.12858 8.58164 7.85041 9.67788 4.4022 7.62611 8.96224 6.957 numMergedOcc 0
41 mol 93 unq 0 iso 1 dist 9.12858 6.30447 9.81831 9.67788 7.85041 8.58164 8.96224 7.62611 4.4022 6.957 numMergedOcc 0
42 mol 93 unq 1 iso 0 dist 9.81831 9.91939 9.4523 8.58164 7.85041 5.33106 4.4022 7.62611 10.3849 6.957 numMergedOcc 0
43 mol 93 unq 1 iso 1 dist 9.4523 9.91939 9.81831 5.33106 7.85041 8.58164 10.3849 7.62611 4.4022 6.957 numMergedOcc 0
44 mol 93 unq 1 iso 0 dist 9.12858 7.66728 9.4523 9.67788 7.85041 5.33106 8.96224 7.62611 10.3849 6.957 numMergedOcc 0
45 mol 93 unq 1 iso 1 dist 9.4523 7.66728 9.12858 5.33106 7.85041 9.67788 10.3849 7.62611 8.96224 6.957 numMergedOcc 0
46 mol 131 unq 0 iso 0 dist 9.15431 7.58238 6.92648 7.71288 9.39683 4.89973 6.51918 5.44303 7.92788 10.8622 numMergedOcc 0
47 mol 131 unq 0 iso 1 dist 6.92648 7.58238 9.15431 4.89973 9.39683 7.71288 7.92788 5.44303 6.51918 10.8622 numMergedOcc 0
48 mol 131 unq 1 iso 0 dist 9.15431 7.58238 6.92648 7.71288 9.39683 4.89973 9.60968 8.50562 8.23791 12.6448 numMergedOcc 0
49 mol 131 unq 1 iso 1 dist 6.92648 7.58238 9.15431 4.89973 9.39683 7.71288 8.23791 8.50562 9.60968 12.6448 numMergedOcc 0
50 mol 131 unq 2 iso 0 dist 9.15431 13.2572 9.29384 7.71288 9.39683 7.00551 6.51918 5.44303 13.1439 10.8622 numMergedOcc 0
51 mol 131 unq 2 iso 1 dist 9.29384 13.2572 9.15431 7.00551 9.39683 7.71288 13.1439 5.44303 6.51918 10.8622 numMergedOcc 0
52 mol 131 unq 3 iso 0 dist 9.15431 13.2572 9.29384 7.71288 9.39683 7.00551 9.60968 8.50562 13.7237 12.6448 numMergedOcc 0
53 mol 131 unq 3 iso 1 dist 9.29384 13.2572 9.15431 7.00551 9.39683 7.71288 13.7237 8.50562 9.60968 12.6448 numMergedOcc 0
54 mol 131 unq 2 iso 0 dist 6.92648 6.63273 9.29384 4.89973 9.39683 7.00551 7.92788 5.44303 13.1439 10.8622 numMergedOcc 0
55 mol 131 unq 2 iso 1 dist 9.29384 6.63273 6.92648 7.00551 9.39683 4.89973 13.1439 5.44303 7.92788 10.8622 numMergedOcc 0
56 mol 131 unq 3 iso 0 dist 6.92648 6.63273 9.29384 4.89973 9.39683 7.00551 8.23791 8.50562 13.7237 12.6448 numMergedOcc 0
57 mol 131 unq 3 iso 1 dist 9.29384 6.63273 6.92648 7.00551 9.39683 4.89973 13.7237 8.50562 8.23791 12.6448 numMergedOcc 0
58 mol 147 unq 0 iso 0 dist 5.49226 7.15222 6.28351 5.08802 5.1101 8.59354 11.1681 7.25644 5.50251 10.7872 numMergedOcc 0
59 mol 147 unq 0 iso 1 dist 6.28351 7.15222 5.49226 8.59354 5.1101 5.08802 5.50251 7.25644 11.1681 10.7872 numMergedOcc 0
60 mol 147 unq 1 iso 0 dist 5.49226 7.15222 6.28351 10.1972 7.01133 8.54341 11.1681 7.25644 5.50251 7.66774 numMergedOcc 0
61 mol 147 unq 1 iso 1 dist 6.28351 7.15222 5.49226 8.54341 7.01133 10.1972 5.50251 7.25644 11.1681 7.66774 numMergedOcc 0
62 mol 181 unq 0 iso 0 dist 6.51749 10.1912 7.20392 5.4601 7.345 6.14208 5.6044 7.11785 12.9468 9.87435 numMergedOcc 0
63 mol 181 unq 0 iso 1 dist 7.20392 10.1912 6.51749 6.14208 7.345 5.4601 12.9468 7.11785 5.6044 9.87435 numMergedOcc 0
64 mol 181 unq 1 iso 0 dist 6.51749 10.1912 7.20392 10.0524 9.52987 5.95965 5.6044 7.11785 12.9468 14.6648 numMergedOcc 0
65 mol 181 unq 1 iso 1 dist 7.20392 10.1912 6.51749 5.95965 9.52987 10.0524 12.9468 7.11785 5.6044 14.6648 numMergedOcc 0
66 mol 194 unq 0 iso 0 dist 6.26839 8.0179 8.12346 15.9311 9.77862 13.7758 11.6598 5.68348 12.0887 5.63279 numMergedOcc 0
67 mol 194 unq 0 iso 1 dist 8.12346 8.0179 6.26839 13.7758 9.77862 15.9311 12.0887 5.68348 11.6598 5.63279 numMergedOcc 0
68 mol 194 unq 1 iso 0 dist 6.26839 14.6506 8.83356 15.9311 9.77862 5.38925 11.6598 5.68348 7.11753 5.63279 numMergedOcc 0
69 mol 194 unq 1 iso 1 dist 8.83356 14.6506 6.26839 5.38925 9.77862 15.9311 7.11753 5.68348 11.6598 5.63279 numMergedOcc 0
70 mol 194 unq 2 iso 0 dist 6.26839 8.48054 8.2654 15.9311 9.77862 14.2415 11.6598 5.68348 12.8755 5.63279 numMergedOcc 0
71 mol 194 unq 2 iso 1 dist 8.2654 8.48054 6.26839 14.2415 9.77862 15.9311 12.8755 5.68348 11.6598 5.63279 numMergedOcc 0
72 mol 194 unq 1 iso 0 dist 8.12346 13.5632 8.83356 13.7758 9.77862 5.38925 12.0887 5.68348 7.11753 5.63279 numMergedOcc 0
73 mol 194 unq 1 iso 1 dist 8.83356 13.5632 8.12346 5.38925 9.77862 13.7758 7.11753 5.68348 12.0887 5.63279 numMergedOcc 0
74 mol 194 unq 2 iso 0 dist 8.12346 6.26298 8.2654 13.7758 9.77862 14.2415 12.0887 5.68348 12.8755 5.63279 numMergedOcc 0
75 mol 194 unq 2 iso 1 dist 8.2654 6.26298 8.12346 14.2415 9.77862 13.7758 12.8755 5.68348 12.0887 5.63279 numMergedOcc 0
76 mol 194 unq 2 iso 0 dist 8.83356 11.6097 8.2654 5.38925 9.77862 14.2415 7.11753 5.68348 12.8755 5.63279 numMergedOcc 0
77 mol 194 unq 2 iso 1 dist 8.2654 11.6097 8.83356 14.2415 9.77862 5.38925 12.8755 5.68348 7.11753 5.63279 numMergedOcc 0
78 mol 205 unq 0 iso 0 dist 8.44861 7.38516 5.60393 8.66809 5.42696 6.23291 13.0658 9.17946 14.4523 11.8917 numMergedOcc 0
79 mol 205 unq 0 iso 1 dist 5.60393 7.38516 8.44861 6.23291 5.42696 8.66809 14.4523 9.17946 13.0658 11.8917 numMergedOcc 0
80 mol 218 unq 0 iso 0 dist 6.29367 4.72474 5.76954 6.05563 6.86795 9.68444 4.92618 8.3087 7.84019 5.89482 numMergedOcc 0
81 mol 218 unq 0 iso 1 dist 5.76954 4.72474 6.29367 9.68444 6.86795 6.05563 7.84019 8.3087 4.92618 5.89482 numMergedOcc 0
82 mol 218 unq 1 iso 0 dist 6.29367 4.72474 5.76954 8.36122 6.61099 7.47048 4.92618 8.3087 7.84019 6.65167 numMergedOcc 0
83 mol 218 unq 1 iso 1 dist 5.76954 4.72474 6.29367 7.47048 6.61099 8.36122 7.84019 8.3087 4.92618 6.65167 numMergedOcc 0
84 mol 218 unq 2 iso 0 dist 6.29367 6.17651 9.20961 6.05563 6.86795 11.4148 4.92618 8.3087 10.9043 5.89482 numMergedOcc 0
85 mol 218 unq 2 iso 1 dist 9.20961 6.17651 6.29367 11.4148 6.86795 6.05563 10.9043 8.3087 4.92618 5.89482 numMergedOcc 0
86 mol 218 unq 3 iso 0 dist 6.29367 6.17651 9.20961 8.36122 6.61099 12.7963 4.92618 8.3087 10.9043 6.65167 numMergedOcc 0
87 mol 218 unq 3 iso 1 dist 9.20961 6.17651 6.29367 12.7963 6.61099 8.36122 10.9043 8.3087 4.92618 6.65167 numMergedOcc 0
88 mol 218 unq 2 iso 0 dist 5.76954 5.61978 9.20961 9.68444 6.86795 11.4148 7.84019 8.3087 10.9043 5.89482 numMergedOcc 0
89 mol 218 unq 2 iso 1 dist 9.20961 5.61978 5.76954 11.4148 6.86795 9.68444 10.9043 8.3087 7.84019 5.89482 numMergedOcc 0
90 mol 218 unq 3 iso 0 dist 5.76954 5.61978 9.20961 7.47048 6.61099 12.7963 7.84019 8.3087 10.9043 6.65167 numMergedOcc 0
91 mol 218 unq 3 iso 1 dist 9.20961 5.61978 5.76954 12.7963 6.61099 7.47048 10.9043 8.3087 7.84019 6.65167 numMergedOcc 0
92 mol 261 unq 0 iso 0 dist 5.26434 7.00201 8.60026 7.49174 9.24121 5.22253 7.39176 8.61563 12.8544 10.0785 numMergedOcc 0
93 mol 261 unq 0 iso 1 dist 8.60026 7.00201 5.26434 5.22253 9.24121 7.49174 12.8544 8.61563 7.39176 10.0785 numMergedOcc 0
94 mol 264 unq 0 iso 0 dist 6.04162 4.92077 6.14323 8.16326 9.42738 12.3807 6.26382 7.21655 5.24812 10.6815 numMergedOcc 0
95 mol 264 unq 0 iso 1 dist 6.14323 4.92077 6.04162 12.3807 9.42738 8.16326 5.24812 7.21655 6.26382 10.6815 numMergedOcc 0
96 mol 272 unq 0 iso 0 dist 9.64269 6.6954 6.88809 4.72202 7.55161 8.5751 10.2227 9.18635 5.02308 12.015 numMergedOcc 0
97 mol 272 unq 0 iso 1 dist 6.88809 6.6954 9.64269 8.5751 7.55161 4.72202 5.02308 9.18635 10.2227 12.015 numMergedOcc 0
98 mol 272 unq 1 iso 0 dist 9.64269 8.12676 8.46061 4.72202 7.55161 8.52877 10.2227 9.18635 6.32008 12.015 numMergedOcc 0
99 mol 272 unq 1 iso 1 dist 8.46061 8.12676 9.64269 8.52877 7.55161 4.72202 6.32008 9.18635 10.2227 12.015 numMergedOcc 0
100 mol 272 unq 1 iso 0 dist 6.88809 7.34222 8.46061 8.5751 7.55161 8.52877 5.02308 9.18635 6.32008 12.015 numMergedOcc 0
101 mol 272 unq 1 iso 1 dist 8.46061 7.34222 6.88809 8.52877 7.55161 8.5751 6.32008 9.18635 5.02308 12.015 numMergedOcc 0
102 mol 277 unq 0 iso 0 dist 6.57903 6.59123 9.65707 9.92201 7.25677 7.29899 6.28695 7.85414 4.39413 6.56697 numMergedOcc 0
103 mol 277 unq 0 iso 1 dist 9.65707 6.59123 6.57903 7.29899 7.25677 9.92201 4.39413 7.85414 6.28695 6.56697 numMergedOcc 0
104 mol 279 unq 0 iso 0 dist 8.29305 6.67478 6.43341 5.3373 8.23056 7.18967 9.37316 9.30921 5.58929 6.29016 numMergedOcc 0
105 mol 279 unq 0 iso 1 dist 6.43341 6.67478 8.29305 7.18967 8.23056 5.3373 5.58929 9.30921 9.37316 6.29016 numMergedOcc 0
