0 mol 64 unq 0 iso 0 dist 8.99491 11.1165 9.10915 4.96726 9.67592 9.73304 6.84612 8.68586 12.9814 5.3948 numMergedOcc 0
1 mol 64 unq 1 iso 0 dist 8.99491 13.6507 8.66921 4.96726 9.67592 10.8918 6.84612 8.68586 11.75 5.3948 numMergedOcc 0
2 mol 64 unq 2 iso 0 dist 8.99491 7.89444 5.54343 4.96726 9.67592 5.59762 6.84612 8.68586 5.68492 5.3948 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.2377 7.98579 4.24428 4.99283 5.93252 6.58444 12.6436 5.64598 5.14919 9.77992 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.18305 7.53682 6.30194 4.69583 6.19304 10.5627 4.31731 4.65521 5.14919 7.41074 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 6.4551 4.00834 4.83274 8.78063 6.97941 10.2219 13.2281 9.49449 13.8036 6.06861 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 6.4551 9.6911 7.89214 8.78063 6.97941 7.74851 13.2281 9.49449 6.63393 6.06861 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 4.98864 9.35695 9.56867 6.59772 6.11741 9.97256 5.46352 6.99777 7.97477 10.8292 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 4.98864 9.35695 9.56867 6.59772 6.11741 9.97256 10.1017 9.14376 6.58038 6.12943 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 4.98864 9.35695 9.56867 10.9437 7.88312 7.64822 5.46352 6.99777 7.97477 11.7126 numMergedOcc 0
10 mol 115 unq 3 iso 0 dist 4.98864 9.35695 9.56867 10.9437 7.88312 7.64822 10.1017 9.14376 6.58038 4.62962 numMergedOcc 0
11 mol 115 unq 4 iso 0 dist 7.95871 11.703 9.56867 4.86477 6.11741 9.97256 10.3995 6.99777 7.97477 10.8292 numMergedOcc 0
12 mol 115 unq 5 iso 0 dist 7.95871 11.703 9.56867 4.86477 6.11741 9.97256 9.81323 9.14376 6.58038 6.12943 numMergedOcc 0
13 mol 115 unq 6 iso 0 dist 7.95871 11.703 9.56867 12.0354 7.88312 7.64822 10.3995 6.99777 7.97477 11.7126 numMergedOcc 0
14 mol 115 unq 7 iso 0 dist 7.95871 11.703 9.56867 12.0354 7.88312 7.64822 9.81323 9.14376 6.58038 4.62962 numMergedOcc 0
15 mol 127 unq 0 iso 0 dist 9.42513 4.42983 7.73139 8.60326 9.30299 11.0785 10.2034 9.81878 11.54 4.77464 numMergedOcc 0
16 mol 127 unq 1 iso 0 dist 9.42513 9.88569 6.66607 8.60326 9.30299 8.89539 10.2034 9.81878 6.09683 4.77464 numMergedOcc 0
17 mol 127 unq 2 iso 0 dist 9.42513 5.88232 8.62711 8.60326 9.30299 10.345 10.2034 9.81878 13.376 4.77464 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 5.49877 7.43279 9.05626 3.96103 8.70949 7.09664 6.53156 6.89257 5.53247 8.84655 numMergedOcc 0
19 mol 130 unq 1 iso 0 dist 5.49877 7.43279 9.05626 3.96103 8.70949 7.09664 4.72188 8.74308 8.63186 6.76754 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 9.60411 10.6313 5.67862 10.5108 6.37586 9.52819 6.27009 5.42582 6.30187 5.41704 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 9.60411 10.6313 5.67862 6.20443 9.71307 12.4156 6.27009 5.42582 6.30187 6.17103 numMergedOcc 0
22 mol 155 unq 0 iso 0 dist 6.7973 6.12669 7.28355 5.01118 6.23493 4.8645 5.10076 7.16254 10.0058 6.3845 numMergedOcc 0
23 mol 155 unq 1 iso 0 dist 6.7973 6.12669 7.28355 5.01118 6.23493 4.8645 9.64056 9.86313 10.5375 5.86939 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 9.51764 18.2005 9.40003 6.28065 9.65138 16.5528 6.09245 6.97182 13.377 6.16485 numMergedOcc 0
25 mol 214 unq 1 iso 0 dist 9.51764 18.2005 9.40003 6.28065 9.65138 16.5528 10.8345 6.1175 9.36638 11.5712 numMergedOcc 0
26 mol 214 unq 2 iso 0 dist 9.51764 18.2005 9.40003 11.2159 7.14453 9.11345 6.09245 6.97182 13.377 5.33565 numMergedOcc 0
27 mol 214 unq 3 iso 0 dist 9.51764 18.2005 9.40003 11.2159 7.14453 9.11345 10.8345 6.1175 9.36638 5.06792 numMergedOcc 0
28 mol 214 unq 4 iso 0 dist 9.51764 18.2005 9.40003 6.53326 8.85478 16.922 6.09245 6.97182 13.377 8.47007 numMergedOcc 0
29 mol 214 unq 5 iso 0 dist 9.51764 18.2005 9.40003 6.53326 8.85478 16.922 10.8345 6.1175 9.36638 12.8334 numMergedOcc 0
30 mol 214 unq 6 iso 0 dist 9.51764 4.74203 8.68385 6.28065 9.65138 10.2443 6.09245 6.97182 8.07861 6.16485 numMergedOcc 0
31 mol 214 unq 7 iso 0 dist 9.51764 4.74203 8.68385 6.28065 9.65138 10.2443 10.8345 6.1175 10.2576 11.5712 numMergedOcc 0
32 mol 214 unq 8 iso 0 dist 9.51764 4.74203 8.68385 11.2159 7.14453 12.5421 6.09245 6.97182 8.07861 5.33565 numMergedOcc 0
33 mol 214 unq 9 iso 0 dist 9.51764 4.74203 8.68385 11.2159 7.14453 12.5421 10.8345 6.1175 10.2576 5.06792 numMergedOcc 0
34 mol 214 unq 10 iso 0 dist 9.51764 4.74203 8.68385 6.53326 8.85478 9.18071 6.09245 6.97182 8.07861 8.47007 numMergedOcc 0
35 mol 214 unq 11 iso 0 dist 9.51764 4.74203 8.68385 6.53326 8.85478 9.18071 10.8345 6.1175 10.2576 12.8334 numMergedOcc 0
36 mol 214 unq 12 iso 0 dist 5.36829 4.87713 9.40003 11.7583 9.65138 16.5528 8.69149 6.97182 13.377 6.16485 numMergedOcc 0
37 mol 214 unq 13 iso 0 dist 5.36829 4.87713 9.40003 11.7583 9.65138 16.5528 6.00706 6.1175 9.36638 11.5712 numMergedOcc 0
38 mol 214 unq 14 iso 0 dist 5.36829 4.87713 9.40003 4.98764 7.14453 9.11345 8.69149 6.97182 13.377 5.33565 numMergedOcc 0
39 mol 214 unq 15 iso 0 dist 5.36829 4.87713 9.40003 4.98764 7.14453 9.11345 6.00706 6.1175 9.36638 5.06792 numMergedOcc 0
40 mol 214 unq 16 iso 0 dist 5.36829 4.87713 9.40003 12.3481 8.85478 16.922 8.69149 6.97182 13.377 8.47007 numMergedOcc 0
41 mol 214 unq 17 iso 0 dist 5.36829 4.87713 9.40003 12.3481 8.85478 16.922 6.00706 6.1175 9.36638 12.8334 numMergedOcc 0
42 mol 214 unq 18 iso 0 dist 5.36829 13.4762 8.68385 11.7583 9.65138 10.2443 8.69149 6.97182 8.07861 6.16485 numMergedOcc 0
43 mol 214 unq 19 iso 0 dist 5.36829 13.4762 8.68385 11.7583 9.65138 10.2443 6.00706 6.1175 10.2576 11.5712 numMergedOcc 0
44 mol 214 unq 20 iso 0 dist 5.36829 13.4762 8.68385 4.98764 7.14453 12.5421 8.69149 6.97182 8.07861 5.33565 numMergedOcc 0
45 mol 214 unq 21 iso 0 dist 5.36829 13.4762 8.68385 4.98764 7.14453 12.5421 6.00706 6.1175 10.2576 5.06792 numMergedOcc 0
46 mol 214 unq 22 iso 0 dist 5.36829 13.4762 8.68385 12.3481 8.85478 9.18071 8.69149 6.97182 8.07861 8.47007 numMergedOcc 0
47 mol 214 unq 23 iso 0 dist 5.36829 13.4762 8.68385 12.3481 8.85478 9.18071 6.00706 6.1175 10.2576 12.8334 numMergedOcc 0
48 mol 222 unq 0 iso 0 dist 9.55777 12.6689 8.69148 6.54251 8.01589 6.52189 5.78005 6.82208 8.62626 4.8892 numMergedOcc 0
49 mol 222 unq 1 iso 0 dist 9.55777 12.6689 8.69148 15.3892 7.7699 5.33282 5.78005 6.82208 8.62626 11.0074 numMergedOcc 0
50 mol 222 unq 2 iso 0 dist 9.55777 12.6689 8.69148 16.4881 7.21333 9.97859 5.78005 6.82208 8.62626 12.2813 numMergedOcc 0
51 mol 236 unq 0 iso 0 dist 8.90987 7.84468 9.97357 5.26654 8.03456 8.3919 14.3961 7.17676 11.4732 11.8759 numMergedOcc 0
52 mol 236 unq 1 iso 0 dist 8.90987 7.84468 9.97357 5.26654 8.03456 8.3919 12.7435 6.68463 14.1057 9.07822 numMergedOcc 0
53 mol 236 unq 2 iso 0 dist 8.90987 7.84468 9.97357 3.82437 6.84306 4.88785 14.3961 7.17676 11.4732 11.3552 numMergedOcc 0
54 mol 236 unq 3 iso 0 dist 8.90987 7.84468 9.97357 3.82437 6.84306 4.88785 12.7435 6.68463 14.1057 11.6837 numMergedOcc 0
55 mol 236 unq 4 iso 0 dist 8.90987 7.84468 9.97357 13.8124 9.99038 10.2557 14.3961 7.17676 11.4732 6.04825 numMergedOcc 0
56 mol 236 unq 5 iso 0 dist 8.90987 7.84468 9.97357 13.8124 9.99038 10.2557 12.7435 6.68463 14.1057 8.8265 numMergedOcc 0
57 mol 236 unq 6 iso 0 dist 8.90987 7.84468 9.97357 11.2846 9.78037 14.6755 14.3961 7.17676 11.4732 12.6468 numMergedOcc 0
58 mol 236 unq 7 iso 0 dist 8.90987 7.84468 9.97357 11.2846 9.78037 14.6755 12.7435 6.68463 14.1057 5.80136 numMergedOcc 0
59 mol 236 unq 8 iso 0 dist 8.90987 7.84468 9.97357 16.8883 8.35971 16.5918 14.3961 7.17676 11.4732 6.40312 numMergedOcc 0
60 mol 236 unq 9 iso 0 dist 8.90987 7.84468 9.97357 16.8883 8.35971 16.5918 12.7435 6.68463 14.1057 6.2568 numMergedOcc 0
61 mol 253 unq 0 iso 0 dist 5.89502 7.60327 8.53729 9.25001 9.02271 16.1265 11.889 7.19465 15.6651 7.92528 numMergedOcc 0
62 mol 253 unq 1 iso 0 dist 5.89502 9.90493 8.07341 9.25001 9.02271 16.581 11.889 7.19465 14.0411 7.92528 numMergedOcc 0
63 mol 253 unq 2 iso 0 dist 7.15815 13.127 8.53729 4.93871 9.02271 16.1265 8.75798 7.19465 15.6651 7.92528 numMergedOcc 0
64 mol 253 unq 3 iso 0 dist 7.15815 14.7487 8.07341 4.93871 9.02271 16.581 8.75798 7.19465 14.0411 7.92528 numMergedOcc 0
65 mol 256 unq 0 iso 0 dist 7.67598 6.78978 8.43264 8.99993 8.29103 6.19628 9.40096 5.24676 8.04009 4.22352 numMergedOcc 0
66 mol 265 unq 0 iso 0 dist 9.772 9.91968 7.54805 5.75478 8.4218 12.5953 5.55314 6.34034 8.3872 6.43013 numMergedOcc 0
67 mol 272 unq 0 iso 0 dist 9.96394 12.1122 4.78812 11.5918 8.33638 5.27123 5.98845 6.73206 6.99865 5.63139 numMergedOcc 0
