This page uses scripts from 3Dmol.js from Pittsburg : 3Dmol.js COMPND CB-DB-03-crestbest_minPB.com AUTHOR GENERATED BY MOLECULE 2.545 HETATM 1 C UNL 1 -1.353 -2.715 0.617 1.00 0.00 C HETATM 2 C UNL 1 -0.999 -1.731 -0.372 1.00 0.00 C HETATM 3 B UNL 1 -1.247 -0.077 -0.391 1.00 0.00 B HETATM 4 C UNL 1 -1.543 0.865 0.948 1.00 0.00 C HETATM 5 C UNL 1 -2.801 1.217 1.417 1.00 0.00 C HETATM 6 P UNL 1 0.804 0.604 -0.480 1.00 0.00 P HETATM 7 C UNL 1 0.860 1.250 1.199 1.00 0.00 C HETATM 8 C UNL 1 -1.942 2.321 3.407 1.00 0.00 C HETATM 9 C UNL 1 1.973 1.668 1.899 1.00 0.00 C HETATM 10 C UNL 1 1.801 2.277 3.160 1.00 0.00 C HETATM 11 H UNL 1 2.676 2.600 3.728 1.00 0.00 H HETATM 12 C UNL 1 0.534 2.492 3.663 1.00 0.00 C HETATM 13 H UNL 1 0.405 2.997 4.624 1.00 0.00 H HETATM 14 C UNL 1 -0.623 2.078 2.954 1.00 0.00 C HETATM 15 C UNL 1 -3.001 1.928 2.624 1.00 0.00 C HETATM 16 C UNL 1 -0.452 1.395 1.711 1.00 0.00 C HETATM 17 H UNL 1 2.973 1.541 1.476 1.00 0.00 H HETATM 18 C UNL 1 -0.850 -4.019 0.511 1.00 0.00 C HETATM 19 C UNL 1 -0.084 -4.449 -0.564 1.00 0.00 C HETATM 20 C UNL 1 -0.279 -2.228 -1.503 1.00 0.00 C HETATM 21 C UNL 1 0.158 -3.556 -1.588 1.00 0.00 C HETATM 22 H UNL 1 0.288 -5.476 -0.608 1.00 0.00 H HETATM 23 H UNL 1 0.722 -3.870 -2.471 1.00 0.00 H HETATM 24 C UNL 1 -2.320 0.439 -1.546 1.00 0.00 C HETATM 25 C UNL 1 2.270 -0.488 -0.539 1.00 0.00 C HETATM 26 C UNL 1 -2.762 -0.465 -2.701 1.00 0.00 C HETATM 27 C UNL 1 -2.118 1.870 -2.040 1.00 0.00 C HETATM 28 H UNL 1 -3.219 0.475 -0.903 1.00 0.00 H HETATM 29 H UNL 1 -3.778 -0.186 -3.028 1.00 0.00 H HETATM 30 H UNL 1 -2.121 -0.371 -3.590 1.00 0.00 H HETATM 31 H UNL 1 -2.785 -1.526 -2.413 1.00 0.00 H HETATM 32 H UNL 1 -1.294 1.933 -2.768 1.00 0.00 H HETATM 33 H UNL 1 -3.020 2.254 -2.547 1.00 0.00 H HETATM 34 H UNL 1 -1.880 2.562 -1.217 1.00 0.00 H HETATM 35 C UNL 1 0.128 -1.405 -2.702 1.00 0.00 C HETATM 36 C UNL 1 -2.326 -2.468 1.790 1.00 0.00 C HETATM 37 H UNL 1 -1.082 -4.746 1.287 1.00 0.00 H HETATM 38 H UNL 1 -0.295 -1.849 -3.616 1.00 0.00 H HETATM 39 H UNL 1 -0.209 -0.366 -2.674 1.00 0.00 H HETATM 40 H UNL 1 1.224 -1.421 -2.819 1.00 0.00 H HETATM 41 C UNL 1 -2.788 -3.765 2.479 1.00 0.00 C HETATM 42 C UNL 1 -1.653 -1.638 2.893 1.00 0.00 C HETATM 43 C UNL 1 -3.609 -1.842 1.226 1.00 0.00 C HETATM 44 H UNL 1 -0.839 -2.224 3.348 1.00 0.00 H HETATM 45 H UNL 1 -1.220 -0.707 2.525 1.00 0.00 H HETATM 46 H UNL 1 -2.375 -1.383 3.685 1.00 0.00 H HETATM 47 H UNL 1 -3.235 -4.478 1.770 1.00 0.00 H HETATM 48 H UNL 1 -1.978 -4.274 3.022 1.00 0.00 H HETATM 49 H UNL 1 -3.558 -3.508 3.224 1.00 0.00 H HETATM 50 H UNL 1 -4.249 -1.448 2.031 1.00 0.00 H HETATM 51 H UNL 1 -3.407 -1.035 0.519 1.00 0.00 H HETATM 52 H UNL 1 -4.180 -2.607 0.676 1.00 0.00 H HETATM 53 H UNL 1 -4.024 2.143 2.944 1.00 0.00 H HETATM 54 H UNL 1 -2.101 2.838 4.357 1.00 0.00 H HETATM 55 C UNL 1 2.235 -1.668 0.220 1.00 0.00 C HETATM 56 C UNL 1 3.345 -2.507 0.258 1.00 0.00 C HETATM 57 C UNL 1 4.500 -2.180 -0.452 1.00 0.00 C HETATM 58 C UNL 1 3.440 -0.152 -1.231 1.00 0.00 C HETATM 59 C UNL 1 4.548 -0.998 -1.189 1.00 0.00 C HETATM 60 H UNL 1 1.337 -1.938 0.779 1.00 0.00 H HETATM 61 H UNL 1 3.299 -3.428 0.844 1.00 0.00 H HETATM 62 H UNL 1 5.368 -2.844 -0.424 1.00 0.00 H HETATM 63 H UNL 1 3.498 0.778 -1.800 1.00 0.00 H HETATM 64 H UNL 1 5.455 -0.726 -1.735 1.00 0.00 H HETATM 65 C UNL 1 1.180 2.044 -1.544 1.00 0.00 C HETATM 66 C UNL 1 1.474 1.874 -2.906 1.00 0.00 C HETATM 67 C UNL 1 1.651 2.980 -3.733 1.00 0.00 C HETATM 68 C UNL 1 1.522 4.270 -3.217 1.00 0.00 C HETATM 69 C UNL 1 1.059 3.343 -1.033 1.00 0.00 C HETATM 70 C UNL 1 1.227 4.446 -1.867 1.00 0.00 C HETATM 71 H UNL 1 1.565 0.872 -3.330 1.00 0.00 H HETATM 72 H UNL 1 1.883 2.832 -4.790 1.00 0.00 H HETATM 73 H UNL 1 1.653 5.137 -3.869 1.00 0.00 H HETATM 74 H UNL 1 0.825 3.493 0.023 1.00 0.00 H HETATM 75 H UNL 1 1.123 5.453 -1.454 1.00 0.00 H HETATM 76 H UNL 1 -3.696 0.914 0.872 1.00 0.00 H CONECT 1 2 18 36 CONECT 2 1 3 20 CONECT 3 2 4 24 CONECT 4 3 5 16 CONECT 5 4 15 76 CONECT 6 7 25 65 CONECT 7 6 9 16 CONECT 8 14 15 54 CONECT 9 7 10 17 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 14 CONECT 13 12 CONECT 14 8 12 16 CONECT 15 5 8 53 CONECT 16 4 7 14 CONECT 17 9 CONECT 18 1 19 37 CONECT 19 18 21 22 CONECT 20 2 21 35 CONECT 21 19 20 23 CONECT 22 19 CONECT 23 21 CONECT 24 3 26 27 28 CONECT 25 6 55 58 CONECT 26 24 29 30 31 CONECT 27 24 32 33 34 CONECT 28 24 CONECT 29 26 CONECT 30 26 CONECT 31 26 CONECT 32 27 CONECT 33 27 CONECT 34 27 CONECT 35 20 38 39 40 CONECT 36 1 41 42 43 CONECT 37 18 CONECT 38 35 CONECT 39 35 CONECT 40 35 CONECT 41 36 47 48 49 CONECT 42 36 44 45 46 CONECT 43 36 50 51 52 CONECT 44 42 CONECT 45 42 CONECT 46 42 CONECT 47 41 CONECT 48 41 CONECT 49 41 CONECT 50 43 CONECT 51 43 CONECT 52 43 CONECT 53 15 CONECT 54 8 CONECT 55 25 56 60 CONECT 56 55 57 61 CONECT 57 56 59 62 CONECT 58 25 59 63 CONECT 59 57 58 64 CONECT 60 55 CONECT 61 56 CONECT 62 57 CONECT 63 58 CONECT 64 59 CONECT 65 6 66 69 CONECT 66 65 67 71 CONECT 67 66 68 72 CONECT 68 67 70 73 CONECT 69 65 70 74 CONECT 70 68 69 75 CONECT 71 66 CONECT 72 67 CONECT 73 68 CONECT 74 69 CONECT 75 70 CONECT 76 5 MASTER 0 0 0 0 0 0 0 0 76 0 76 0 END