| 12345678910111213141516171819202122232425262728293031323334353637383940414243444546474849505152535455565758596061626364656667686970717273747576777879 |
- HEADER NONAME 23-Apr-10 NONE 1
- TITLE NONE 2
- AUTHOR Chemical Structure Services at http://cactus.nci.nih.gov NONE 3
- REVDAT 1 23-Apr-10 0 NONE 4
- ATOM 1 C 0 -1.049 1.569 -0.186 0.00 0.00 C+0
- ATOM 2 C 0 1.717 0.715 0.155 0.00 0.00 C+0
- ATOM 3 C 0 -1.635 -2.212 -0.674 0.00 0.00 C+0
- ATOM 4 C 0 -4.657 0.896 0.691 0.00 0.00 C+0
- ATOM 5 C 0 -4.065 -2.519 -0.433 0.00 0.00 C+0
- ATOM 6 C 0 -2.792 -2.984 -0.745 0.00 0.00 C+0
- ATOM 7 C 0 4.762 -1.453 -0.659 0.00 0.00 C+0
- ATOM 8 C 0 3.241 -1.347 1.369 0.00 0.00 C+0
- ATOM 9 C 0 -0.294 3.762 -0.536 0.00 0.00 C+0
- ATOM 10 C 0 6.055 -0.727 -0.281 0.00 0.00 C+0
- ATOM 11 C 0 4.117 -0.699 2.443 0.00 0.00 C+0
- ATOM 12 H 0 -6.116 -0.586 0.423 0.00 0.00 H+0
- ATOM 13 O 0 3.348 0.665 -1.551 0.00 0.00 O+0
- ATOM 14 C 0 -2.243 1.917 0.716 0.00 0.00 C+0
- ATOM 15 C 0 1.270 2.005 -0.544 0.00 0.00 C+0
- ATOM 16 C 0 2.958 0.178 -0.511 0.00 0.00 C+0
- ATOM 17 C 0 -1.715 -0.898 -0.270 0.00 0.00 C+0
- ATOM 18 C 0 -3.338 0.903 0.522 0.00 0.00 C+0
- ATOM 19 C 0 0.596 -0.284 0.030 0.00 0.00 C+0
- ATOM 20 N 0 0.046 2.483 0.100 0.00 0.00 N+0
- ATOM 21 C 0 -0.654 0.118 -0.131 0.00 0.00 C+0
- ATOM 22 C 0 -4.182 -1.194 -0.016 0.00 0.00 C+0
- ATOM 23 N 0 3.634 -0.844 0.050 0.00 0.00 N+0
- ATOM 24 N 0 -5.176 -0.349 0.374 0.00 0.00 N+0
- ATOM 25 C 0 -3.008 -0.439 0.056 0.00 0.00 C+0
- ATOM 26 H 0 -1.370 1.771 -1.208 0.00 0.00 H+0
- ATOM 27 H 0 -0.679 -2.642 -0.934 0.00 0.00 H+0
- ATOM 28 H 0 -1.924 1.911 1.758 0.00 0.00 H+0
- ATOM 29 H 0 -2.616 2.907 0.457 0.00 0.00 H+0
- ATOM 30 H 0 -5.240 1.741 1.027 0.00 0.00 H+0
- ATOM 31 H 0 -4.930 -3.161 -0.511 0.00 0.00 H+0
- ATOM 32 H 0 0.816 -1.341 0.073 0.00 0.00 H+0
- ATOM 33 H 0 -2.694 -4.011 -1.065 0.00 0.00 H+0
- ATOM 34 H 0 1.919 0.915 1.207 0.00 0.00 H+0
- ATOM 35 H 0 2.050 2.761 -0.453 0.00 0.00 H+0
- ATOM 36 H 0 1.074 1.803 -1.597 0.00 0.00 H+0
- ATOM 37 H 0 -1.230 4.137 -0.122 0.00 0.00 H+0
- ATOM 38 H 0 0.501 4.484 -0.349 0.00 0.00 H+0
- ATOM 39 H 0 -0.405 3.615 -1.611 0.00 0.00 H+0
- ATOM 40 H 0 4.601 -1.373 -1.734 0.00 0.00 H+0
- ATOM 41 H 0 4.842 -2.504 -0.381 0.00 0.00 H+0
- ATOM 42 H 0 3.370 -2.429 1.399 0.00 0.00 H+0
- ATOM 43 H 0 2.196 -1.100 1.555 0.00 0.00 H+0
- ATOM 44 H 0 6.894 -1.180 -0.809 0.00 0.00 H+0
- ATOM 45 H 0 5.975 0.324 -0.559 0.00 0.00 H+0
- ATOM 46 H 0 6.215 -0.807 0.794 0.00 0.00 H+0
- ATOM 47 H 0 3.829 -1.077 3.424 0.00 0.00 H+0
- ATOM 48 H 0 5.163 -0.940 2.253 0.00 0.00 H+0
- ATOM 49 H 0 3.983 0.383 2.418 0.00 0.00 H+0
- CONECT 1 21 20 14 26 NONE 54
- CONECT 2 19 16 15 34 NONE 55
- CONECT 3 17 6 27 0 NONE 56
- CONECT 4 18 24 30 0 NONE 57
- CONECT 5 22 6 31 0 NONE 58
- CONECT 6 3 5 33 0 NONE 59
- CONECT 7 23 10 40 41 NONE 60
- CONECT 8 23 11 42 43 NONE 61
- CONECT 9 20 37 38 39 NONE 62
- CONECT 10 7 44 45 46 NONE 63
- CONECT 11 8 47 48 49 NONE 64
- CONECT 13 16 0 0 0 NONE 65
- CONECT 14 18 1 28 29 NONE 66
- CONECT 15 20 2 35 36 NONE 67
- CONECT 16 2 23 13 0 NONE 68
- CONECT 17 25 21 3 0 NONE 69
- CONECT 18 25 14 4 0 NONE 70
- CONECT 19 21 2 32 0 NONE 71
- CONECT 20 1 15 9 0 NONE 72
- CONECT 21 17 1 19 0 NONE 73
- CONECT 22 25 24 5 0 NONE 74
- CONECT 23 16 7 8 0 NONE 75
- CONECT 24 22 4 12 0 NONE 76
- CONECT 25 17 18 22 0 NONE 77
- END NONE 78
|
