0 mol 15 unq 0 iso 0 dist 6.61158 12.2588 7.12903 8.72187 5.90976 9.97507 11.4555 5.51916 6.82505 5.17568 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 6.61158 12.2588 7.12903 11.4555 5.51916 6.82505 8.72187 5.90976 9.97507 5.17568 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.05346 5.48395 5.47769 6.36377 6.2983 6.31718 12.9591 5.94084 7.63133 10.8455 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 9.05346 5.48395 5.47769 12.9591 5.94084 7.63133 6.36377 6.2983 6.31718 10.8455 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.68726 10.8906 8.24062 10.7681 5.3525 7.71095 17.118 11.0387 8.84665 12.5396 numMergedOcc 0
5 mol 59 unq 0 iso 1 dist 8.68726 10.8906 8.24062 17.118 11.0387 8.84665 10.7681 5.3525 7.71095 12.5396 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 8.68726 10.8906 8.24062 10.7681 5.3525 7.71095 16.5558 9.15805 8.25513 8.19458 numMergedOcc 0
7 mol 59 unq 1 iso 1 dist 8.68726 10.8906 8.24062 16.5558 9.15805 8.25513 10.7681 5.3525 7.71095 8.19458 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 8.68726 10.8906 8.24062 17.118 11.0387 8.84665 16.5558 9.15805 8.25513 6.40295 numMergedOcc 0
9 mol 59 unq 1 iso 1 dist 8.68726 10.8906 8.24062 16.5558 9.15805 8.25513 17.118 11.0387 8.84665 6.40295 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 5.82918 4.0486 9.2603 7.74197 6.95868 9.36773 7.86537 6.97239 8.31336 5.57085 numMergedOcc 0
11 mol 88 unq 0 iso 1 dist 5.82918 4.0486 9.2603 7.86537 6.97239 8.31336 7.74197 6.95868 9.36773 5.57085 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 5.58063 5.24961 7.64585 12.5192 10.2377 9.33865 10.8398 10.8939 6.11741 8.02349 numMergedOcc 0
13 mol 115 unq 0 iso 1 dist 5.58063 5.24961 7.64585 10.8398 10.8939 6.11741 12.5192 10.2377 9.33865 8.02349 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 9.58171 10.4485 6.62561 18.7881 11.3679 9.84395 6.90827 4.91401 7.90328 13.1058 numMergedOcc 0
15 mol 117 unq 0 iso 1 dist 9.58171 10.4485 6.62561 6.90827 4.91401 7.90328 18.7881 11.3679 9.84395 13.1058 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 9.16944 5.01118 9.17284 6.7973 4.9093 6.23493 10.6879 6.3437 7.46303 5.71071 numMergedOcc 0
17 mol 155 unq 0 iso 1 dist 9.16944 5.01118 9.17284 10.6879 6.3437 7.46303 6.7973 4.9093 6.23493 5.71071 numMergedOcc 0
18 mol 155 unq 1 iso 0 dist 7.62575 10.4606 7.51198 13.0657 5.86939 7.46303 10.6076 6.34186 6.43582 7.66392 numMergedOcc 0
19 mol 155 unq 1 iso 1 dist 7.62575 10.4606 7.51198 10.6076 6.34186 6.43582 13.0657 5.86939 7.46303 7.66392 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 8.45395 9.47799 6.94688 9.86845 6.25083 9.1374 13.0329 5.86342 5.98885 8.88798 numMergedOcc 0
21 mol 181 unq 0 iso 1 dist 8.45395 9.47799 6.94688 13.0329 5.86342 5.98885 9.86845 6.25083 9.1374 8.88798 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 8.45395 9.47799 6.94688 9.86845 6.25083 9.1374 14.039 6.80228 9.15386 12.1628 numMergedOcc 0
23 mol 181 unq 1 iso 1 dist 8.45395 9.47799 6.94688 14.039 6.80228 9.15386 9.86845 6.25083 9.1374 12.1628 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 8.45395 9.47799 6.94688 13.0329 5.86342 5.98885 14.039 6.80228 9.15386 5.16002 numMergedOcc 0
25 mol 181 unq 1 iso 1 dist 8.45395 9.47799 6.94688 14.039 6.80228 9.15386 13.0329 5.86342 5.98885 5.16002 numMergedOcc 0
26 mol 181 unq 2 iso 0 dist 9.15368 9.09989 6.94688 12.5284 6.25083 9.1374 12.9014 5.86342 5.98885 8.88798 numMergedOcc 0
27 mol 181 unq 2 iso 1 dist 9.15368 9.09989 6.94688 12.9014 5.86342 5.98885 12.5284 6.25083 9.1374 8.88798 numMergedOcc 0
28 mol 181 unq 3 iso 0 dist 9.15368 9.09989 6.94688 12.5284 6.25083 9.1374 12.9138 6.80228 9.15386 12.1628 numMergedOcc 0
29 mol 181 unq 3 iso 1 dist 9.15368 9.09989 6.94688 12.9138 6.80228 9.15386 12.5284 6.25083 9.1374 12.1628 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 9.15368 9.09989 6.94688 12.9014 5.86342 5.98885 12.9138 6.80228 9.15386 5.16002 numMergedOcc 0
31 mol 181 unq 3 iso 1 dist 9.15368 9.09989 6.94688 12.9138 6.80228 9.15386 12.9014 5.86342 5.98885 5.16002 numMergedOcc 0
32 mol 181 unq 4 iso 0 dist 9.20477 4.98009 6.94688 12.0593 6.25083 9.1374 10.3248 5.86342 5.98885 8.88798 numMergedOcc 0
33 mol 181 unq 4 iso 1 dist 9.20477 4.98009 6.94688 10.3248 5.86342 5.98885 12.0593 6.25083 9.1374 8.88798 numMergedOcc 0
34 mol 181 unq 5 iso 0 dist 9.20477 4.98009 6.94688 12.0593 6.25083 9.1374 11.7479 6.80228 9.15386 12.1628 numMergedOcc 0
35 mol 181 unq 5 iso 1 dist 9.20477 4.98009 6.94688 11.7479 6.80228 9.15386 12.0593 6.25083 9.1374 12.1628 numMergedOcc 0
36 mol 181 unq 5 iso 0 dist 9.20477 4.98009 6.94688 10.3248 5.86342 5.98885 11.7479 6.80228 9.15386 5.16002 numMergedOcc 0
37 mol 181 unq 5 iso 1 dist 9.20477 4.98009 6.94688 11.7479 6.80228 9.15386 10.3248 5.86342 5.98885 5.16002 numMergedOcc 0
38 mol 181 unq 6 iso 0 dist 5.41368 9.47799 6.71012 9.86845 4.77278 9.1374 13.0329 9.14057 5.98885 8.88798 numMergedOcc 0
39 mol 181 unq 6 iso 1 dist 5.41368 9.47799 6.71012 13.0329 9.14057 5.98885 9.86845 4.77278 9.1374 8.88798 numMergedOcc 0
40 mol 181 unq 7 iso 0 dist 5.41368 9.47799 6.71012 9.86845 4.77278 9.1374 14.039 11.6919 9.15386 12.1628 numMergedOcc 0
41 mol 181 unq 7 iso 1 dist 5.41368 9.47799 6.71012 14.039 11.6919 9.15386 9.86845 4.77278 9.1374 12.1628 numMergedOcc 0
42 mol 181 unq 7 iso 0 dist 5.41368 9.47799 6.71012 13.0329 9.14057 5.98885 14.039 11.6919 9.15386 5.16002 numMergedOcc 0
43 mol 181 unq 7 iso 1 dist 5.41368 9.47799 6.71012 14.039 11.6919 9.15386 13.0329 9.14057 5.98885 5.16002 numMergedOcc 0
44 mol 181 unq 8 iso 0 dist 7.96182 9.09989 6.71012 12.5284 4.77278 9.1374 12.9014 9.14057 5.98885 8.88798 numMergedOcc 0
45 mol 181 unq 8 iso 1 dist 7.96182 9.09989 6.71012 12.9014 9.14057 5.98885 12.5284 4.77278 9.1374 8.88798 numMergedOcc 0
46 mol 181 unq 9 iso 0 dist 7.96182 9.09989 6.71012 12.5284 4.77278 9.1374 12.9138 11.6919 9.15386 12.1628 numMergedOcc 0
47 mol 181 unq 9 iso 1 dist 7.96182 9.09989 6.71012 12.9138 11.6919 9.15386 12.5284 4.77278 9.1374 12.1628 numMergedOcc 0
48 mol 181 unq 9 iso 0 dist 7.96182 9.09989 6.71012 12.9014 9.14057 5.98885 12.9138 11.6919 9.15386 5.16002 numMergedOcc 0
49 mol 181 unq 9 iso 1 dist 7.96182 9.09989 6.71012 12.9138 11.6919 9.15386 12.9014 9.14057 5.98885 5.16002 numMergedOcc 0
50 mol 181 unq 10 iso 0 dist 7.90237 4.98009 6.71012 12.0593 4.77278 9.1374 10.3248 9.14057 5.98885 8.88798 numMergedOcc 0
51 mol 181 unq 10 iso 1 dist 7.90237 4.98009 6.71012 10.3248 9.14057 5.98885 12.0593 4.77278 9.1374 8.88798 numMergedOcc 0
52 mol 181 unq 11 iso 0 dist 7.90237 4.98009 6.71012 12.0593 4.77278 9.1374 11.7479 11.6919 9.15386 12.1628 numMergedOcc 0
53 mol 181 unq 11 iso 1 dist 7.90237 4.98009 6.71012 11.7479 11.6919 9.15386 12.0593 4.77278 9.1374 12.1628 numMergedOcc 0
54 mol 181 unq 11 iso 0 dist 7.90237 4.98009 6.71012 10.3248 9.14057 5.98885 11.7479 11.6919 9.15386 5.16002 numMergedOcc 0
55 mol 181 unq 11 iso 1 dist 7.90237 4.98009 6.71012 11.7479 11.6919 9.15386 10.3248 9.14057 5.98885 5.16002 numMergedOcc 0
56 mol 181 unq 12 iso 0 dist 9.70025 6.20895 7.37327 13.8362 11.1462 7.81386 10.0354 13.3389 7.63312 8.85576 numMergedOcc 0
57 mol 181 unq 12 iso 1 dist 9.70025 6.20895 7.37327 10.0354 13.3389 7.63312 13.8362 11.1462 7.81386 8.85576 numMergedOcc 0
58 mol 222 unq 0 iso 0 dist 7.35476 4.82768 6.82208 10.8522 4.8892 8.01589 10.0664 11.0074 7.7699 10.4579 numMergedOcc 0
59 mol 222 unq 0 iso 1 dist 7.35476 4.82768 6.82208 10.0664 11.0074 7.7699 10.8522 4.8892 8.01589 10.4579 numMergedOcc 0
60 mol 222 unq 1 iso 0 dist 7.35476 4.82768 6.82208 10.8522 4.8892 8.01589 7.85877 12.2813 7.21333 13.3522 numMergedOcc 0
61 mol 222 unq 1 iso 1 dist 7.35476 4.82768 6.82208 7.85877 12.2813 7.21333 10.8522 4.8892 8.01589 13.3522 numMergedOcc 0
62 mol 222 unq 1 iso 0 dist 7.35476 4.82768 6.82208 10.0664 11.0074 7.7699 7.85877 12.2813 7.21333 5.24516 numMergedOcc 0
63 mol 222 unq 1 iso 1 dist 7.35476 4.82768 6.82208 7.85877 12.2813 7.21333 10.0664 11.0074 7.7699 5.24516 numMergedOcc 0
64 mol 236 unq 0 iso 0 dist 6.98151 11.2013 7.17676 12.3675 11.8759 8.03456 11.0771 11.3552 6.84306 5.79505 numMergedOcc 0
65 mol 236 unq 0 iso 1 dist 6.98151 11.2013 7.17676 11.0771 11.3552 6.84306 12.3675 11.8759 8.03456 5.79505 numMergedOcc 0
66 mol 236 unq 1 iso 0 dist 6.98151 11.2013 7.17676 12.3675 11.8759 8.03456 5.66569 6.04825 9.99038 9.90963 numMergedOcc 0
67 mol 236 unq 1 iso 1 dist 6.98151 11.2013 7.17676 5.66569 6.04825 9.99038 12.3675 11.8759 8.03456 9.90963 numMergedOcc 0
68 mol 236 unq 2 iso 0 dist 6.98151 11.2013 7.17676 12.3675 11.8759 8.03456 15.7385 12.6468 9.78037 6.96005 numMergedOcc 0
69 mol 236 unq 2 iso 1 dist 6.98151 11.2013 7.17676 15.7385 12.6468 9.78037 12.3675 11.8759 8.03456 6.96005 numMergedOcc 0
70 mol 236 unq 3 iso 0 dist 6.98151 11.2013 7.17676 12.3675 11.8759 8.03456 13.3367 6.40312 8.35971 14.2337 numMergedOcc 0
71 mol 236 unq 3 iso 1 dist 6.98151 11.2013 7.17676 13.3367 6.40312 8.35971 12.3675 11.8759 8.03456 14.2337 numMergedOcc 0
72 mol 236 unq 1 iso 0 dist 6.98151 11.2013 7.17676 11.0771 11.3552 6.84306 5.66569 6.04825 9.99038 11.3368 numMergedOcc 0
73 mol 236 unq 1 iso 1 dist 6.98151 11.2013 7.17676 5.66569 6.04825 9.99038 11.0771 11.3552 6.84306 11.3368 numMergedOcc 0
74 mol 236 unq 2 iso 0 dist 6.98151 11.2013 7.17676 11.0771 11.3552 6.84306 15.7385 12.6468 9.78037 11.8739 numMergedOcc 0
75 mol 236 unq 2 iso 1 dist 6.98151 11.2013 7.17676 15.7385 12.6468 9.78037 11.0771 11.3552 6.84306 11.8739 numMergedOcc 0
76 mol 236 unq 3 iso 0 dist 6.98151 11.2013 7.17676 11.0771 11.3552 6.84306 13.3367 6.40312 8.35971 14.7998 numMergedOcc 0
77 mol 236 unq 3 iso 1 dist 6.98151 11.2013 7.17676 13.3367 6.40312 8.35971 11.0771 11.3552 6.84306 14.7998 numMergedOcc 0
78 mol 236 unq 2 iso 0 dist 6.98151 11.2013 7.17676 5.66569 6.04825 9.99038 15.7385 12.6468 9.78037 11.1557 numMergedOcc 0
79 mol 236 unq 2 iso 1 dist 6.98151 11.2013 7.17676 15.7385 12.6468 9.78037 5.66569 6.04825 9.99038 11.1557 numMergedOcc 0
80 mol 236 unq 3 iso 0 dist 6.98151 11.2013 7.17676 5.66569 6.04825 9.99038 13.3367 6.40312 8.35971 10.7497 numMergedOcc 0
81 mol 236 unq 3 iso 1 dist 6.98151 11.2013 7.17676 13.3367 6.40312 8.35971 5.66569 6.04825 9.99038 10.7497 numMergedOcc 0
82 mol 236 unq 3 iso 0 dist 6.98151 11.2013 7.17676 15.7385 12.6468 9.78037 13.3367 6.40312 8.35971 12.0369 numMergedOcc 0
83 mol 236 unq 3 iso 1 dist 6.98151 11.2013 7.17676 13.3367 6.40312 8.35971 15.7385 12.6468 9.78037 12.0369 numMergedOcc 0
84 mol 236 unq 4 iso 0 dist 6.98151 4.15973 5.34718 12.3675 11.8759 9.81562 11.0771 11.3552 7.68742 5.79505 numMergedOcc 0
85 mol 236 unq 4 iso 1 dist 6.98151 4.15973 5.34718 11.0771 11.3552 7.68742 12.3675 11.8759 9.81562 5.79505 numMergedOcc 0
86 mol 236 unq 5 iso 0 dist 6.98151 4.15973 5.34718 12.3675 11.8759 9.81562 5.66569 6.04825 6.27581 9.90963 numMergedOcc 0
87 mol 236 unq 5 iso 1 dist 6.98151 4.15973 5.34718 5.66569 6.04825 6.27581 12.3675 11.8759 9.81562 9.90963 numMergedOcc 0
88 mol 236 unq 5 iso 0 dist 6.98151 4.15973 5.34718 11.0771 11.3552 7.68742 5.66569 6.04825 6.27581 11.3368 numMergedOcc 0
89 mol 236 unq 5 iso 1 dist 6.98151 4.15973 5.34718 5.66569 6.04825 6.27581 11.0771 11.3552 7.68742 11.3368 numMergedOcc 0
90 mol 259 unq 0 iso 0 dist 9.53092 4.77548 7.48005 12.348 11.6195 7.88519 12.2873 11.8736 7.84554 4.86771 numMergedOcc 0
91 mol 259 unq 0 iso 1 dist 9.53092 4.77548 7.48005 12.2873 11.8736 7.84554 12.348 11.6195 7.88519 4.86771 numMergedOcc 0
92 mol 259 unq 1 iso 0 dist 9.53092 4.77548 7.48005 12.348 11.6195 7.88519 11.6963 5.79468 7.46176 6.96053 numMergedOcc 0
93 mol 259 unq 1 iso 1 dist 9.53092 4.77548 7.48005 11.6963 5.79468 7.46176 12.348 11.6195 7.88519 6.96053 numMergedOcc 0
94 mol 259 unq 2 iso 0 dist 9.53092 4.77548 7.48005 12.348 11.6195 7.88519 12.3184 12.6649 9.18903 10.4881 numMergedOcc 0
95 mol 259 unq 2 iso 1 dist 9.53092 4.77548 7.48005 12.3184 12.6649 9.18903 12.348 11.6195 7.88519 10.4881 numMergedOcc 0
96 mol 259 unq 1 iso 0 dist 9.53092 4.77548 7.48005 12.2873 11.8736 7.84554 11.6963 5.79468 7.46176 7.64658 numMergedOcc 0
97 mol 259 unq 1 iso 1 dist 9.53092 4.77548 7.48005 11.6963 5.79468 7.46176 12.2873 11.8736 7.84554 7.64658 numMergedOcc 0
98 mol 259 unq 2 iso 0 dist 9.53092 4.77548 7.48005 12.2873 11.8736 7.84554 12.3184 12.6649 9.18903 5.87173 numMergedOcc 0
99 mol 259 unq 2 iso 1 dist 9.53092 4.77548 7.48005 12.3184 12.6649 9.18903 12.2873 11.8736 7.84554 5.87173 numMergedOcc 0
100 mol 259 unq 2 iso 0 dist 9.53092 4.77548 7.48005 11.6963 5.79468 7.46176 12.3184 12.6649 9.18903 10.5239 numMergedOcc 0
101 mol 259 unq 2 iso 1 dist 9.53092 4.77548 7.48005 12.3184 12.6649 9.18903 11.6963 5.79468 7.46176 10.5239 numMergedOcc 0
102 mol 264 unq 0 iso 0 dist 8.44015 11.2529 9.0012 15.3175 9.74238 9.361 10.7818 5.12409 6.24356 10.3202 numMergedOcc 0
103 mol 264 unq 0 iso 1 dist 8.44015 11.2529 9.0012 10.7818 5.12409 6.24356 15.3175 9.74238 9.361 10.3202 numMergedOcc 0
104 mol 264 unq 1 iso 0 dist 6.21206 11.2529 9.5784 15.3175 9.85579 9.361 10.7818 9.67998 6.24356 10.3202 numMergedOcc 0
105 mol 264 unq 1 iso 1 dist 6.21206 11.2529 9.5784 10.7818 9.67998 6.24356 15.3175 9.85579 9.361 10.3202 numMergedOcc 0
