0 mol 16 unq 0 iso 0 dist 9.76968 12.1754 7.63133 13.862 5.32694 5.46498 19.1237 10.4155 8.71745 5.74188 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 9.76968 12.1754 7.63133 19.1237 10.4155 8.71745 13.862 5.32694 5.46498 5.74188 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.38387 11.8286 6.20293 13.3732 5.06502 5.73819 12.9363 6.45462 8.93915 5.89973 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.38387 11.8286 6.20293 12.9363 6.45462 8.93915 13.3732 5.06502 5.73819 5.89973 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.36193 5.40367 6.62496 9.01612 5.30792 6.86465 4.88613 4.81926 6.35756 5.35073 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 6.36193 5.40367 6.62496 4.88613 4.81926 6.35756 9.01612 5.30792 6.86465 5.35073 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 9.01612 5.35073 6.86465 6.36193 4.81926 6.62496 5.30792 numMergedOcc 0
7 mol 58 unq 1 iso 1 dist 4.88613 5.40367 6.35756 6.36193 4.81926 6.62496 9.01612 5.35073 6.86465 5.30792 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 6.65344 13.1729 7.71095 19.1673 12.5396 8.84665 14.3301 8.19458 8.25513 6.40295 numMergedOcc 0
9 mol 59 unq 0 iso 1 dist 6.65344 13.1729 7.71095 14.3301 8.19458 8.25513 19.1673 12.5396 8.84665 6.40295 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.18305 4.69583 6.19304 11.0671 5.4148 9.96396 13.2599 13.3558 8.70481 14.9342 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 6.18305 4.69583 6.19304 13.2599 13.3558 8.70481 11.0671 5.4148 9.96396 14.9342 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 6.58793 7.83419 7.66905 10.7244 5.42586 7.47541 11.7434 10.1164 5.73196 6.87425 numMergedOcc 0
13 mol 85 unq 0 iso 1 dist 6.58793 7.83419 7.66905 11.7434 10.1164 5.73196 10.7244 5.42586 7.47541 6.87425 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 9.65047 5.69671 8.03644 12.5791 16.6055 9.03572 13.9545 13.8105 8.83255 6.59319 numMergedOcc 0
15 mol 95 unq 0 iso 1 dist 9.65047 5.69671 8.03644 13.9545 13.8105 8.83255 12.5791 16.6055 9.03572 6.59319 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 14.0784 10.8507 5.83991 13.3494 11.5723 7.88312 8.02349 numMergedOcc 0
17 mol 115 unq 0 iso 1 dist 9.35868 8.25001 7.30858 13.3494 11.5723 7.88312 14.0784 10.8507 5.83991 8.02349 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 4.98864 10.9437 7.88312 14.1021 11.5723 7.30858 12.6493 8.02349 5.83991 10.8507 numMergedOcc 0
19 mol 115 unq 1 iso 1 dist 4.98864 10.9437 7.88312 12.6493 8.02349 5.83991 14.1021 11.5723 7.30858 10.8507 numMergedOcc 0
20 mol 115 unq 2 iso 0 dist 7.95871 12.0354 7.88312 17.0624 11.5723 7.30858 13.7044 8.02349 5.83991 10.8507 numMergedOcc 0
21 mol 115 unq 2 iso 1 dist 7.95871 12.0354 7.88312 13.7044 8.02349 5.83991 17.0624 11.5723 7.30858 10.8507 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 15.7871 10.7062 8.40312 10.4432 6.63273 7.12972 5.55373 numMergedOcc 0
23 mol 131 unq 0 iso 1 dist 7.81337 11.4498 6.85062 10.4432 6.63273 7.12972 15.7871 10.7062 8.40312 5.55373 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 9.3894 13.0836 9.52634 10.2159 6.69554 9.91388 14.8299 7.6656 7.24514 6.761 numMergedOcc 0
25 mol 133 unq 0 iso 1 dist 9.3894 13.0836 9.52634 14.8299 7.6656 7.24514 10.2159 6.69554 9.91388 6.761 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 5.86531 9.73435 8.00618 15.5083 11.965 6.29155 11.5178 7.79672 6.80239 7.81217 numMergedOcc 0
27 mol 133 unq 1 iso 1 dist 5.86531 9.73435 8.00618 11.5178 7.79672 6.80239 15.5083 11.965 6.29155 7.81217 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 9.60411 5.49782 6.37586 14.0674 8.80819 6.49416 5.00817 numMergedOcc 0
29 mol 134 unq 0 iso 1 dist 9.92932 10.5108 8.94367 14.0674 8.80819 6.49416 9.60411 5.49782 6.37586 5.00817 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 9.60411 10.5108 6.37586 9.92932 5.49782 8.94367 14.0674 5.00817 6.49416 8.80819 numMergedOcc 0
31 mol 134 unq 1 iso 1 dist 9.60411 10.5108 6.37586 14.0674 5.00817 6.49416 9.92932 5.49782 8.94367 8.80819 numMergedOcc 0
32 mol 134 unq 2 iso 0 dist 9.55556 11.9294 8.94367 12.1043 5.49782 6.37586 16.0579 8.80819 6.49416 5.00817 numMergedOcc 0
33 mol 134 unq 2 iso 1 dist 9.55556 11.9294 8.94367 16.0579 8.80819 6.49416 12.1043 5.49782 6.37586 5.00817 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 8.07256 11.1874 6.70283 13.1529 5.42328 5.87555 12.6103 6.4896 8.67331 5.54906 numMergedOcc 0
35 mol 152 unq 0 iso 1 dist 8.07256 11.1874 6.70283 12.6103 6.4896 8.67331 13.1529 5.42328 5.87555 5.54906 numMergedOcc 0
36 mol 152 unq 1 iso 0 dist 8.07256 8.36099 7.16148 13.1529 5.42328 8.87437 12.6103 6.4896 8.05741 5.54906 numMergedOcc 0
37 mol 152 unq 1 iso 1 dist 8.07256 8.36099 7.16148 12.6103 6.4896 8.05741 13.1529 5.42328 8.87437 5.54906 numMergedOcc 0
38 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 10.8522 13.3522 8.01589 10.0664 5.24516 7.7699 10.4579 numMergedOcc 0
39 mol 222 unq 0 iso 1 dist 7.85877 4.82768 7.21333 10.0664 5.24516 7.7699 10.8522 13.3522 8.01589 10.4579 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 8.39002 6.51315 5.78342 8.46129 5.0744 9.16166 9.2053 5.60236 5.81334 6.91102 numMergedOcc 0
41 mol 224 unq 0 iso 1 dist 8.39002 6.51315 5.78342 9.2053 5.60236 5.81334 8.46129 5.0744 9.16166 6.91102 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 8.46129 6.51315 9.16166 8.39002 5.0744 5.78342 9.2053 6.91102 5.81334 5.60236 numMergedOcc 0
43 mol 224 unq 1 iso 1 dist 8.46129 6.51315 9.16166 9.2053 6.91102 5.81334 8.39002 5.0744 5.78342 5.60236 numMergedOcc 0
44 mol 224 unq 2 iso 0 dist 9.2053 6.51315 5.81334 8.39002 5.60236 5.78342 8.46129 6.91102 9.16166 5.0744 numMergedOcc 0
45 mol 224 unq 2 iso 1 dist 9.2053 6.51315 5.81334 8.46129 6.91102 9.16166 8.39002 5.60236 5.78342 5.0744 numMergedOcc 0
46 mol 236 unq 0 iso 0 dist 9.89665 4.38595 6.84306 11.3361 5.79505 8.03456 14.0991 11.3368 9.99038 9.90963 numMergedOcc 0
47 mol 236 unq 0 iso 1 dist 9.89665 4.38595 6.84306 14.0991 11.3368 9.99038 11.3361 5.79505 8.03456 9.90963 numMergedOcc 0
48 mol 236 unq 1 iso 0 dist 9.89665 4.38595 6.84306 11.3361 5.79505 8.03456 11.8422 11.8739 9.78037 6.96005 numMergedOcc 0
49 mol 236 unq 1 iso 1 dist 9.89665 4.38595 6.84306 11.8422 11.8739 9.78037 11.3361 5.79505 8.03456 6.96005 numMergedOcc 0
50 mol 236 unq 2 iso 0 dist 9.89665 4.38595 6.84306 11.3361 5.79505 8.03456 9.05929 14.7998 8.35971 14.2337 numMergedOcc 0
51 mol 236 unq 2 iso 1 dist 9.89665 4.38595 6.84306 9.05929 14.7998 8.35971 11.3361 5.79505 8.03456 14.2337 numMergedOcc 0
52 mol 236 unq 1 iso 0 dist 9.89665 4.38595 6.84306 14.0991 11.3368 9.99038 11.8422 11.8739 9.78037 11.1557 numMergedOcc 0
53 mol 236 unq 1 iso 1 dist 9.89665 4.38595 6.84306 11.8422 11.8739 9.78037 14.0991 11.3368 9.99038 11.1557 numMergedOcc 0
54 mol 236 unq 2 iso 0 dist 9.89665 4.38595 6.84306 14.0991 11.3368 9.99038 9.05929 14.7998 8.35971 10.7497 numMergedOcc 0
55 mol 236 unq 2 iso 1 dist 9.89665 4.38595 6.84306 9.05929 14.7998 8.35971 14.0991 11.3368 9.99038 10.7497 numMergedOcc 0
56 mol 236 unq 2 iso 0 dist 9.89665 4.38595 6.84306 11.8422 11.8739 9.78037 9.05929 14.7998 8.35971 12.0369 numMergedOcc 0
57 mol 236 unq 2 iso 1 dist 9.89665 4.38595 6.84306 9.05929 14.7998 8.35971 11.8422 11.8739 9.78037 12.0369 numMergedOcc 0
58 mol 236 unq 3 iso 0 dist 9.89665 11.247 7.68742 11.3361 5.79505 9.81562 14.0991 11.3368 6.27581 9.90963 numMergedOcc 0
59 mol 236 unq 3 iso 1 dist 9.89665 11.247 7.68742 14.0991 11.3368 6.27581 11.3361 5.79505 9.81562 9.90963 numMergedOcc 0
60 mol 236 unq 4 iso 0 dist 9.05929 4.38595 8.35971 11.3361 14.2337 8.03456 9.89665 14.7998 6.84306 5.79505 numMergedOcc 0
61 mol 236 unq 4 iso 1 dist 9.05929 4.38595 8.35971 9.89665 14.7998 6.84306 11.3361 14.2337 8.03456 5.79505 numMergedOcc 0
62 mol 236 unq 5 iso 0 dist 9.05929 4.38595 8.35971 11.3361 14.2337 8.03456 14.0991 10.7497 9.99038 9.90963 numMergedOcc 0
63 mol 236 unq 5 iso 1 dist 9.05929 4.38595 8.35971 14.0991 10.7497 9.99038 11.3361 14.2337 8.03456 9.90963 numMergedOcc 0
64 mol 236 unq 6 iso 0 dist 9.05929 4.38595 8.35971 11.3361 14.2337 8.03456 11.8422 12.0369 9.78037 6.96005 numMergedOcc 0
65 mol 236 unq 6 iso 1 dist 9.05929 4.38595 8.35971 11.8422 12.0369 9.78037 11.3361 14.2337 8.03456 6.96005 numMergedOcc 0
66 mol 236 unq 5 iso 0 dist 9.05929 4.38595 8.35971 9.89665 14.7998 6.84306 14.0991 10.7497 9.99038 11.3368 numMergedOcc 0
67 mol 236 unq 5 iso 1 dist 9.05929 4.38595 8.35971 14.0991 10.7497 9.99038 9.89665 14.7998 6.84306 11.3368 numMergedOcc 0
68 mol 236 unq 6 iso 0 dist 9.05929 4.38595 8.35971 9.89665 14.7998 6.84306 11.8422 12.0369 9.78037 11.8739 numMergedOcc 0
69 mol 236 unq 6 iso 1 dist 9.05929 4.38595 8.35971 11.8422 12.0369 9.78037 9.89665 14.7998 6.84306 11.8739 numMergedOcc 0
70 mol 236 unq 6 iso 0 dist 9.05929 4.38595 8.35971 14.0991 10.7497 9.99038 11.8422 12.0369 9.78037 11.1557 numMergedOcc 0
71 mol 236 unq 6 iso 1 dist 9.05929 4.38595 8.35971 11.8422 12.0369 9.78037 14.0991 10.7497 9.99038 11.1557 numMergedOcc 0
72 mol 236 unq 7 iso 0 dist 5.66569 11.2013 9.99038 12.3675 9.90963 8.03456 11.0771 11.3368 6.84306 5.79505 numMergedOcc 0
73 mol 236 unq 7 iso 1 dist 5.66569 11.2013 9.99038 11.0771 11.3368 6.84306 12.3675 9.90963 8.03456 5.79505 numMergedOcc 0
74 mol 236 unq 8 iso 0 dist 5.66569 11.2013 9.99038 12.3675 9.90963 8.03456 15.7385 11.1557 9.78037 6.96005 numMergedOcc 0
75 mol 236 unq 8 iso 1 dist 5.66569 11.2013 9.99038 15.7385 11.1557 9.78037 12.3675 9.90963 8.03456 6.96005 numMergedOcc 0
76 mol 236 unq 9 iso 0 dist 5.66569 11.2013 9.99038 12.3675 9.90963 8.03456 13.3367 10.7497 8.35971 14.2337 numMergedOcc 0
77 mol 236 unq 9 iso 1 dist 5.66569 11.2013 9.99038 13.3367 10.7497 8.35971 12.3675 9.90963 8.03456 14.2337 numMergedOcc 0
78 mol 236 unq 8 iso 0 dist 5.66569 11.2013 9.99038 11.0771 11.3368 6.84306 15.7385 11.1557 9.78037 11.8739 numMergedOcc 0
79 mol 236 unq 8 iso 1 dist 5.66569 11.2013 9.99038 15.7385 11.1557 9.78037 11.0771 11.3368 6.84306 11.8739 numMergedOcc 0
80 mol 236 unq 9 iso 0 dist 5.66569 11.2013 9.99038 11.0771 11.3368 6.84306 13.3367 10.7497 8.35971 14.7998 numMergedOcc 0
81 mol 236 unq 9 iso 1 dist 5.66569 11.2013 9.99038 13.3367 10.7497 8.35971 11.0771 11.3368 6.84306 14.7998 numMergedOcc 0
82 mol 236 unq 9 iso 0 dist 5.66569 11.2013 9.99038 15.7385 11.1557 9.78037 13.3367 10.7497 8.35971 12.0369 numMergedOcc 0
83 mol 236 unq 9 iso 1 dist 5.66569 11.2013 9.99038 13.3367 10.7497 8.35971 15.7385 11.1557 9.78037 12.0369 numMergedOcc 0
84 mol 236 unq 10 iso 0 dist 5.66569 4.15973 6.27581 12.3675 9.90963 9.81562 11.0771 11.3368 7.68742 5.79505 numMergedOcc 0
85 mol 236 unq 10 iso 1 dist 5.66569 4.15973 6.27581 11.0771 11.3368 7.68742 12.3675 9.90963 9.81562 5.79505 numMergedOcc 0
86 mol 236 unq 11 iso 0 dist 6.11137 15.1664 9.99038 14.8917 9.90963 8.03456 15.2525 11.3368 6.84306 5.79505 numMergedOcc 0
87 mol 236 unq 11 iso 1 dist 6.11137 15.1664 9.99038 15.2525 11.3368 6.84306 14.8917 9.90963 8.03456 5.79505 numMergedOcc 0
88 mol 236 unq 12 iso 0 dist 6.11137 15.1664 9.99038 14.8917 9.90963 8.03456 17.0539 11.1557 9.78037 6.96005 numMergedOcc 0
89 mol 236 unq 12 iso 1 dist 6.11137 15.1664 9.99038 17.0539 11.1557 9.78037 14.8917 9.90963 8.03456 6.96005 numMergedOcc 0
90 mol 236 unq 13 iso 0 dist 6.11137 15.1664 9.99038 14.8917 9.90963 8.03456 15.4718 10.7497 8.35971 14.2337 numMergedOcc 0
91 mol 236 unq 13 iso 1 dist 6.11137 15.1664 9.99038 15.4718 10.7497 8.35971 14.8917 9.90963 8.03456 14.2337 numMergedOcc 0
92 mol 236 unq 12 iso 0 dist 6.11137 15.1664 9.99038 15.2525 11.3368 6.84306 17.0539 11.1557 9.78037 11.8739 numMergedOcc 0
93 mol 236 unq 12 iso 1 dist 6.11137 15.1664 9.99038 17.0539 11.1557 9.78037 15.2525 11.3368 6.84306 11.8739 numMergedOcc 0
94 mol 236 unq 13 iso 0 dist 6.11137 15.1664 9.99038 15.2525 11.3368 6.84306 15.4718 10.7497 8.35971 14.7998 numMergedOcc 0
95 mol 236 unq 13 iso 1 dist 6.11137 15.1664 9.99038 15.4718 10.7497 8.35971 15.2525 11.3368 6.84306 14.7998 numMergedOcc 0
96 mol 236 unq 13 iso 0 dist 6.11137 15.1664 9.99038 17.0539 11.1557 9.78037 15.4718 10.7497 8.35971 12.0369 numMergedOcc 0
97 mol 236 unq 13 iso 1 dist 6.11137 15.1664 9.99038 15.4718 10.7497 8.35971 17.0539 11.1557 9.78037 12.0369 numMergedOcc 0
98 mol 236 unq 14 iso 0 dist 6.11137 9.01197 6.27581 14.8917 9.90963 9.81562 15.2525 11.3368 7.68742 5.79505 numMergedOcc 0
99 mol 236 unq 14 iso 1 dist 6.11137 9.01197 6.27581 15.2525 11.3368 7.68742 14.8917 9.90963 9.81562 5.79505 numMergedOcc 0
100 mol 259 unq 0 iso 0 dist 8.06771 9.79538 7.88519 12.3795 4.86771 7.84554 11.1503 6.96053 7.46176 7.64658 numMergedOcc 0
101 mol 259 unq 0 iso 1 dist 8.06771 9.79538 7.88519 11.1503 6.96053 7.46176 12.3795 4.86771 7.84554 7.64658 numMergedOcc 0
102 mol 259 unq 1 iso 0 dist 8.06771 9.79538 7.88519 12.3795 4.86771 7.84554 17.0226 10.4881 9.18903 5.87173 numMergedOcc 0
103 mol 259 unq 1 iso 1 dist 8.06771 9.79538 7.88519 17.0226 10.4881 9.18903 12.3795 4.86771 7.84554 5.87173 numMergedOcc 0
104 mol 259 unq 1 iso 0 dist 8.06771 9.79538 7.88519 11.1503 6.96053 7.46176 17.0226 10.4881 9.18903 10.5239 numMergedOcc 0
105 mol 259 unq 1 iso 1 dist 8.06771 9.79538 7.88519 17.0226 10.4881 9.18903 11.1503 6.96053 7.46176 10.5239 numMergedOcc 0
106 mol 259 unq 2 iso 0 dist 9.54857 15.3806 7.46176 14.0139 6.96053 7.88519 16.6234 7.64658 7.84554 4.86771 numMergedOcc 0
107 mol 259 unq 2 iso 1 dist 9.54857 15.3806 7.46176 16.6234 7.64658 7.84554 14.0139 6.96053 7.88519 4.86771 numMergedOcc 0
108 mol 259 unq 3 iso 0 dist 9.54857 15.3806 7.46176 14.0139 6.96053 7.88519 20.0172 10.5239 9.18903 10.4881 numMergedOcc 0
109 mol 259 unq 3 iso 1 dist 9.54857 15.3806 7.46176 20.0172 10.5239 9.18903 14.0139 6.96053 7.88519 10.4881 numMergedOcc 0
110 mol 259 unq 3 iso 0 dist 9.54857 15.3806 7.46176 16.6234 7.64658 7.84554 20.0172 10.5239 9.18903 5.87173 numMergedOcc 0
111 mol 259 unq 3 iso 1 dist 9.54857 15.3806 7.46176 20.0172 10.5239 9.18903 16.6234 7.64658 7.84554 5.87173 numMergedOcc 0
112 mol 273 unq 0 iso 0 dist 8.57501 6.9795 6.92774 11.7392 7.03728 9.01049 15.145 8.55278 9.2983 8.05475 numMergedOcc 0
113 mol 273 unq 0 iso 1 dist 8.57501 6.9795 6.92774 15.145 8.55278 9.2983 11.7392 7.03728 9.01049 8.05475 numMergedOcc 0
