REMARK Name = BDB060749 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.481 -0.044 1.707 0.00 0.00 +0.125 A ATOM 2 C LIG 1 1.756 0.355 1.280 0.00 0.00 +0.092 A ATOM 3 C LIG 1 2.684 -0.625 1.000 0.00 0.00 +0.143 A ATOM 4 O LIG 1 3.975 -0.409 0.577 0.00 0.00 -0.451 OA ATOM 5 C LIG 1 4.536 -1.672 0.418 0.00 0.00 +0.176 C ATOM 6 C LIG 1 3.552 -2.734 0.763 0.00 0.00 +0.231 C ATOM 7 O LIG 1 3.687 -3.938 0.751 0.00 0.00 -0.283 OA ATOM 8 C LIG 1 5.790 -1.940 0.030 0.00 0.00 +0.058 C ATOM 9 C LIG 1 2.366 -1.971 1.130 0.00 0.00 +0.068 A ATOM 10 C LIG 1 1.120 -2.400 1.536 0.00 0.00 +0.019 A ATOM 11 C LIG 1 0.166 -1.415 1.824 0.00 0.00 +0.046 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 6.809 -0.938 -0.308 0.00 0.00 -0.021 A ATOM 13 C LIG 1 6.526 0.180 -1.104 0.00 0.00 +0.016 A ATOM 14 C LIG 1 7.527 1.109 -1.438 0.00 0.00 -0.017 A ATOM 15 C LIG 1 8.845 0.905 -0.973 0.00 0.00 -0.018 A ATOM 16 C LIG 1 9.845 1.833 -1.307 0.00 0.00 +0.008 A ATOM 17 C LIG 1 9.548 2.950 -2.091 0.00 0.00 +0.001 A ATOM 18 C LIG 1 8.250 3.151 -2.551 0.00 0.00 +0.001 A ATOM 19 C LIG 1 9.127 -0.224 -0.191 0.00 0.00 +0.009 A ATOM 20 C LIG 1 7.246 2.237 -2.228 0.00 0.00 +0.008 A ATOM 21 C LIG 1 8.121 -1.139 0.132 0.00 0.00 +0.008 A ENDBRANCH 8 12 BRANCH 1 22 ATOM 22 O LIG 1 -0.376 0.995 1.951 0.00 0.00 -0.487 OA BRANCH 22 23 ATOM 23 C LIG 1 -1.596 0.726 2.650 0.00 0.00 +0.264 C BRANCH 23 30 ATOM 24 C LIG 1 -5.847 -1.869 2.012 0.00 0.00 +0.047 C ATOM 25 C LIG 1 -4.810 -0.947 1.435 0.00 0.00 -0.008 A ATOM 26 C LIG 1 -4.905 -0.448 0.125 0.00 0.00 +0.128 A ATOM 27 C LIG 1 -3.877 0.343 -0.412 0.00 0.00 -0.008 A ATOM 28 C LIG 1 -3.882 0.794 -1.845 0.00 0.00 +0.047 C ATOM 29 C LIG 1 -2.813 0.732 0.418 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -2.727 0.291 1.744 0.00 0.00 -0.010 A ATOM 31 C LIG 1 -3.736 -0.543 2.243 0.00 0.00 +0.014 A BRANCH 26 32 ATOM 32 O LIG 1 -5.964 -0.826 -0.654 0.00 0.00 -0.475 OA BRANCH 32 33 ATOM 33 C LIG 1 -7.104 0.065 -0.721 0.00 0.00 +0.200 C ATOM 34 C LIG 1 -8.332 -0.797 -0.389 0.00 0.00 +0.067 C ATOM 35 C LIG 1 -7.079 1.292 0.210 0.00 0.00 +0.067 C BRANCH 33 36 ATOM 36 C LIG 1 -7.277 0.514 -2.185 0.00 0.00 +0.348 C ATOM 37 O LIG 1 -6.693 0.089 -3.169 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 -8.228 1.460 -2.355 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 -8.228 1.611 -3.325 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 23 30 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 8