You can not select more than 25 topics
Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
123 lines
7.9 KiB
123 lines
7.9 KiB
2 years ago
|
COMPND bucky.pdb
|
||
|
|
HETATM 1 C -3.4306 0.3484 0.3630
|
||
|
|
HETATM 2 C -3.1790 1.1810 -0.7334
|
||
|
|
HETATM 3 C -2.9160 0.3690 -1.8427
|
||
|
|
HETATM 4 C -3.0048 -0.9660 -1.4314
|
||
|
|
HETATM 5 C -3.3229 -0.9791 -0.0682
|
||
|
|
HETATM 6 C -1.9449 0.7442 -2.7732
|
||
|
|
HETATM 7 C -1.2332 1.9362 -2.5954
|
||
|
|
HETATM 8 C -1.4944 2.7485 -1.4902
|
||
|
|
HETATM 9 C -2.4680 2.3700 -0.5585
|
||
|
|
HETATM 10 C -2.0114 2.7298 0.7143
|
||
|
|
HETATM 11 C -2.2640 1.9005 1.8090
|
||
|
|
HETATM 12 C -2.9745 0.7074 1.6331
|
||
|
|
HETATM 13 C -2.4129 -0.2585 2.4753
|
||
|
|
HETATM 14 C -2.3071 -1.5829 2.0466
|
||
|
|
HETATM 15 C -2.7627 -1.9425 0.7730
|
||
|
|
HETATM 16 C -1.8823 -2.8972 0.2521
|
||
|
|
HETATM 17 C -1.5635 -2.8861 -1.1071
|
||
|
|
HETATM 18 C -2.1254 -1.9193 -1.9490
|
||
|
|
HETATM 19 C -1.1533 -1.5397 -2.8812
|
||
|
|
HETATM 20 C -1.0615 -0.2088 -3.2934
|
||
|
|
HETATM 21 C 0.0879 1.7218 -3.0046
|
||
|
|
HETATM 22 C -0.4365 3.3422 -0.7917
|
||
|
|
HETATM 23 C -0.7555 3.3307 0.5716
|
||
|
|
HETATM 24 C -1.2619 1.6696 2.7586
|
||
|
|
HETATM 25 C -1.3534 0.3346 3.1711
|
||
|
|
HETATM 26 C -1.1426 -2.3137 2.3104
|
||
|
|
HETATM 27 C -0.8795 -3.1267 1.2011
|
||
|
|
HETATM 28 C -0.2429 -3.1010 -1.5184
|
||
|
|
HETATM 29 C 0.0114 -2.2689 -2.6155
|
||
|
|
HETATM 30 C 0.1936 0.3941 -3.4362
|
||
|
|
HETATM 31 C 3.3266 0.9826 0.0695
|
||
|
|
HETATM 32 C 3.0096 0.9706 1.4326
|
||
|
|
HETATM 33 C 2.9177 -0.3640 1.8443
|
||
|
|
HETATM 34 C 3.1778 -1.1770 0.7349
|
||
|
|
HETATM 35 C 3.4306 -0.3451 -0.3621
|
||
|
|
HETATM 36 C 1.9473 -0.7475 2.7721
|
||
|
|
HETATM 37 C 1.0645 0.2062 3.2916
|
||
|
|
HETATM 38 C 1.1547 1.5385 2.8834
|
||
|
|
HETATM 39 C 2.1280 1.9203 1.9528
|
||
|
|
HETATM 40 C 1.5657 2.8862 1.1107
|
||
|
|
HETATM 41 C 1.8834 2.9000 -0.2489
|
||
|
|
HETATM 42 C 2.7651 1.9463 -0.7707
|
||
|
|
HETATM 43 C 2.3092 1.5866 -2.0437
|
||
|
|
HETATM 44 C 2.4144 0.2631 -2.4755
|
||
|
|
HETATM 45 C 2.9758 -0.7031 -1.6328
|
||
|
|
HETATM 46 C 2.2666 -1.8962 -1.8100
|
||
|
|
HETATM 47 C 2.0133 -2.7276 -0.7172
|
||
|
|
HETATM 48 C 2.4693 -2.3670 0.5560
|
||
|
|
HETATM 49 C 1.4973 -2.7481 1.4877
|
||
|
|
HETATM 50 C 1.2349 -1.9394 2.5952
|
||
|
|
HETATM 51 C -0.1917 -0.3936 3.4362
|
||
|
|
HETATM 52 C -0.0088 2.2691 2.6153
|
||
|
|
HETATM 53 C 0.2447 3.1026 1.5191
|
||
|
|
HETATM 54 C 0.8815 3.1269 -1.2000
|
||
|
|
HETATM 55 C 1.1442 2.3150 -2.3100
|
||
|
|
HETATM 56 C 1.3558 -0.3333 -3.1706
|
||
|
|
HETATM 57 C 1.2640 -1.6687 -2.7595
|
||
|
|
HETATM 58 C 0.7577 -3.3290 -0.5712
|
||
|
|
HETATM 59 C 0.4382 -3.3422 0.7920
|
||
|
|
HETATM 60 C -0.0856 -1.7214 3.0049
|
||
|
|
CONECT 1 2 5 12
|
||
|
|
CONECT 2 1 3 9
|
||
|
|
CONECT 3 2 4 6
|
||
|
|
CONECT 4 3 5 18
|
||
|
|
CONECT 5 1 4 15
|
||
|
|
CONECT 6 3 7 20
|
||
|
|
CONECT 7 6 8 21
|
||
|
|
CONECT 8 7 9 22
|
||
|
|
CONECT 9 2 8 10
|
||
|
|
CONECT 10 9 11 23
|
||
|
|
CONECT 11 10 12 24
|
||
|
|
CONECT 12 1 11 13
|
||
|
|
CONECT 13 12 14 25
|
||
|
|
CONECT 14 13 15 26
|
||
|
|
CONECT 15 5 14 16
|
||
|
|
CONECT 16 15 17 27
|
||
|
|
CONECT 17 16 18 28
|
||
|
|
CONECT 18 4 17 19
|
||
|
|
CONECT 19 18 20 29
|
||
|
|
CONECT 20 6 19 30
|
||
|
|
CONECT 21 7 30 55
|
||
|
|
CONECT 22 8 23 54
|
||
|
|
CONECT 23 10 22 53
|
||
|
|
CONECT 24 11 25 52
|
||
|
|
CONECT 25 13 24 51
|
||
|
|
CONECT 26 14 27 60
|
||
|
|
CONECT 27 16 26 59
|
||
|
|
CONECT 28 17 29 58
|
||
|
|
CONECT 29 19 28 57
|
||
|
|
CONECT 30 20 21 56
|
||
|
|
CONECT 31 32 35 42
|
||
|
|
CONECT 32 31 33 39
|
||
|
|
CONECT 33 32 34 36
|
||
|
|
CONECT 34 33 35 48
|
||
|
|
CONECT 35 31 34 45
|
||
|
|
CONECT 36 33 37 50
|
||
|
|
CONECT 37 36 38 51
|
||
|
|
CONECT 38 37 39 52
|
||
|
|
CONECT 39 32 38 40
|
||
|
|
CONECT 40 39 41 53
|
||
|
|
CONECT 41 40 42 54
|
||
|
|
CONECT 42 31 41 43
|
||
|
|
CONECT 43 42 44 55
|
||
|
|
CONECT 44 43 45 56
|
||
|
|
CONECT 45 35 44 46
|
||
|
|
CONECT 46 45 47 57
|
||
|
|
CONECT 47 46 48 58
|
||
|
|
CONECT 48 34 47 49
|
||
|
|
CONECT 49 48 50 59
|
||
|
|
CONECT 50 36 49 60
|
||
|
|
CONECT 51 25 37 60
|
||
|
|
CONECT 52 24 38 53
|
||
|
|
CONECT 53 23 40 52
|
||
|
|
CONECT 54 22 41 55
|
||
|
|
CONECT 55 21 43 54
|
||
|
|
CONECT 56 30 44 57
|
||
|
|
CONECT 57 29 46 56
|
||
|
|
CONECT 58 28 47 59
|
||
|
|
CONECT 59 27 49 58
|
||
|
|
CONECT 60 26 50 51
|
||
|
|
END
|