COMPND GC.out AUTHOR GENERATED BY OPEN BABEL 2.2.3 ATOM 1 P G A 1 -9.425 -2.023 -0.263 1.00 0.00 P ATOM 2 O1P G A 1 -9.788 -3.109 -1.306 1.00 0.00 O ATOM 3 O2P G A 1 -9.785 -0.626 -0.825 1.00 0.00 O ATOM 4 O5* G A 1 -7.856 -2.085 0.047 1.00 0.00 O ATOM 5 C5* G A 1 -6.956 -2.514 -0.992 1.00 0.00 C ATOM 6 H5*1 G A 1 -7.039 -1.841 -1.845 1.00 0.00 H ATOM 7 H5*2 G A 1 -7.213 -3.527 -1.302 1.00 0.00 H ATOM 8 C4* G A 1 -5.525 -2.496 -0.479 1.00 0.00 C ATOM 9 H4* G A 1 -4.905 -3.134 -1.109 1.00 0.00 H ATOM 10 O4* G A 1 -4.974 -1.156 -0.662 1.00 0.00 O ATOM 11 C1* G A 1 -4.902 -0.485 0.587 1.00 0.00 C ATOM 12 H1* G A 1 -3.866 -0.220 0.798 1.00 0.00 H ATOM 13 N9 G A 1 -5.581 0.834 0.442 1.00 0.00 N ATOM 14 C8 G A 1 -6.927 1.132 0.498 1.00 0.00 C ATOM 15 H8 G A 1 -7.648 0.346 0.667 1.00 0.00 H ATOM 16 N7 G A 1 -7.198 2.403 0.328 1.00 0.00 N ATOM 17 C5 G A 1 -5.951 2.989 0.148 1.00 0.00 C ATOM 18 C6 G A 1 -5.596 4.345 -0.081 1.00 0.00 C ATOM 19 O6 G A 1 -6.329 5.329 -0.173 1.00 0.00 O ATOM 20 N1 G A 1 -4.210 4.495 -0.206 1.00 0.00 N ATOM 21 H1 G A 1 -3.861 5.418 -0.371 1.00 0.00 H ATOM 22 C2 G A 1 -3.287 3.473 -0.120 1.00 0.00 C ATOM 23 N2 G A 1 -2.003 3.826 -0.269 1.00 0.00 N ATOM 24 H21 G A 1 -1.644 4.754 -0.447 1.00 0.00 H ATOM 25 H22 G A 1 -1.322 3.083 -0.216 1.00 0.00 H ATOM 26 N3 G A 1 -3.621 2.204 0.096 1.00 0.00 N ATOM 27 C4 G A 1 -4.966 2.041 0.221 1.00 0.00 C ATOM 28 C3* G A 1 -5.349 -2.779 1.014 1.00 0.00 C ATOM 29 H3* G A 1 -6.147 -3.440 1.355 1.00 0.00 H ATOM 30 C2* G A 1 -5.527 -1.396 1.644 1.00 0.00 C ATOM 31 H2* G A 1 -6.370 -1.417 2.335 1.00 0.00 H ATOM 32 O2* G A 1 -4.339 -1.039 2.354 1.00 0.00 O ATOM 33 H2* G A 1 -4.489 -0.170 2.733 1.00 0.00 H ATOM 34 O3* G A 1 -4.081 -3.272 1.421 1.00 0.00 O ATOM 35 P C B 1 3.835 -1.944 -0.613 1.00 0.00 P ATOM 36 O1P C B 1 3.472 -3.029 -1.656 1.00 0.00 O ATOM 37 O2P C B 1 3.475 -0.546 -1.175 1.00 0.00 O ATOM 38 O5* C B 1 5.404 -2.006 -0.303 1.00 0.00 O ATOM 39 C5* C B 1 6.304 -2.434 -1.342 1.00 0.00 C ATOM 40 H5*1 C B 1 6.221 -1.761 -2.195 1.00 0.00 H ATOM 41 H5*2 C B 1 6.047 -3.447 -1.651 1.00 0.00 H ATOM 42 C4* C B 1 7.735 -2.416 -0.829 1.00 0.00 C ATOM 43 H4* C B 1 8.355 -3.055 -1.459 1.00 0.00 H ATOM 44 O4* C B 1 8.286 -1.077 -1.012 1.00 0.00 O ATOM 45 C1* C B 1 8.358 -0.405 0.237 1.00 0.00 C ATOM 46 H1* C B 1 9.394 -0.140 0.448 1.00 0.00 H ATOM 47 N1 C B 1 7.679 0.913 0.094 1.00 0.00 N ATOM 48 C6 C B 1 6.326 1.020 0.178 1.00 0.00 C ATOM 49 H6 C B 1 5.725 0.140 0.352 1.00 0.00 H ATOM 50 C5 C B 1 5.709 2.225 0.047 1.00 0.00 C ATOM 51 H5 C B 1 4.623 2.292 0.118 1.00 0.00 H ATOM 52 C4 C B 1 6.548 3.360 -0.182 1.00 0.00 C ATOM 53 N4 C B 1 6.015 4.560 -0.319 1.00 0.00 N ATOM 54 H41 C B 1 6.641 5.336 -0.479 1.00 0.00 H ATOM 55 H42 C B 1 5.014 4.682 -0.262 1.00 0.00 H ATOM 56 N3 C B 1 7.870 3.247 -0.264 1.00 0.00 N ATOM 57 C2 C B 1 8.469 2.033 -0.130 1.00 0.00 C ATOM 58 O2 C B 1 9.698 1.886 -0.199 1.00 0.00 O ATOM 59 C3* C B 1 7.911 -2.699 0.664 1.00 0.00 C ATOM 60 H3* C B 1 7.113 -3.360 1.005 1.00 0.00 H ATOM 61 C2* C B 1 7.733 -1.317 1.294 1.00 0.00 C ATOM 62 H2* C B 1 6.890 -1.338 1.985 1.00 0.00 H ATOM 63 O2* C B 1 8.921 -0.959 2.004 1.00 0.00 O ATOM 64 H2* C B 1 8.771 -0.090 2.384 1.00 0.00 H ATOM 65 O3* C B 1 9.179 -3.192 1.071 1.00 0.00 O CONECT 1 2 3 4 CONECT 2 1 CONECT 3 1 CONECT 4 5 1 CONECT 5 6 7 8 4 CONECT 6 5 CONECT 7 5 CONECT 8 9 5 10 28 CONECT 9 8 CONECT 10 8 11 CONECT 11 10 13 12 30 CONECT 12 11 CONECT 13 27 14 11 CONECT 14 16 16 13 15 CONECT 15 14 CONECT 16 17 14 14 CONECT 17 18 27 27 16 CONECT 18 20 19 19 17 CONECT 19 18 18 CONECT 20 21 22 18 CONECT 21 20 CONECT 22 23 20 26 26 CONECT 23 24 25 22 CONECT 24 23 CONECT 25 23 CONECT 26 22 22 27 CONECT 27 26 17 17 13 CONECT 28 8 29 34 30 CONECT 29 28 CONECT 30 11 28 31 32 CONECT 31 30 CONECT 32 30 33 CONECT 33 32 CONECT 34 28 CONECT 35 36 37 38 CONECT 36 35 CONECT 37 35 CONECT 38 39 35 CONECT 39 40 41 42 38 CONECT 40 39 CONECT 41 39 CONECT 42 43 39 44 59 CONECT 43 42 CONECT 44 42 45 CONECT 45 44 47 46 61 CONECT 46 45 CONECT 47 57 48 45 CONECT 48 50 50 47 49 CONECT 49 48 CONECT 50 52 51 48 48 CONECT 51 50 CONECT 52 53 56 56 50 CONECT 53 54 55 52 CONECT 54 53 CONECT 55 53 CONECT 56 52 52 57 CONECT 57 56 58 58 47 CONECT 58 57 57 CONECT 59 42 60 65 61 CONECT 60 59 CONECT 61 45 59 62 63 CONECT 62 61 CONECT 63 61 64 CONECT 64 63 CONECT 65 59 MASTER 0 0 0 0 0 0 0 0 65 0 65 0 END