REMARK Name = BDB021511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.532 -1.264 -0.319 0.00 0.00 +0.124 A ATOM 2 C LIG 1 -1.601 -0.491 -1.008 0.00 0.00 +0.092 A ATOM 3 C LIG 1 -0.279 -0.939 -1.238 0.00 0.00 +0.136 A ATOM 4 O LIG 1 0.422 0.003 -1.934 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 1.687 -0.341 -2.472 0.00 0.00 +0.248 C ATOM 6 C LIG 1 2.662 -0.707 -1.373 0.00 0.00 +0.149 C ATOM 7 N LIG 1 2.631 -2.143 -1.144 0.00 0.00 -0.292 N ATOM 8 C LIG 1 1.471 -2.846 -0.849 0.00 0.00 +0.250 C ATOM 9 O LIG 1 1.545 -4.056 -0.613 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.126 -2.188 -0.751 0.00 0.00 +0.079 A ATOM 11 C LIG 1 -0.836 -2.959 -0.058 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -2.140 -2.507 0.153 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 -3.826 -0.925 -0.050 0.00 0.00 -0.492 OA BRANCH 13 14 ATOM 14 C LIG 1 -4.279 0.350 -0.507 0.00 0.00 +0.232 C BRANCH 14 18 ATOM 15 N LIG 1 -8.163 1.651 1.021 0.00 0.00 -0.303 NA ATOM 16 C LIG 1 -7.278 2.546 0.274 0.00 0.00 +0.085 C ATOM 17 C LIG 1 -6.334 1.821 -0.691 0.00 0.00 +0.022 C ATOM 18 C LIG 1 -5.746 0.530 -0.094 0.00 0.00 +0.029 C ATOM 19 C LIG 1 -5.923 0.513 1.429 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -7.402 0.665 1.812 0.00 0.00 +0.085 C BRANCH 15 22 ATOM 21 C LIG 1 -10.147 1.970 -0.481 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -9.194 0.995 0.204 0.00 0.00 +0.081 C ENDBRANCH 15 22 ENDBRANCH 14 18 ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 7 23 ATOM 23 C LIG 1 3.922 -2.853 -1.110 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 4.487 -3.129 0.304 0.00 0.00 +0.146 C BRANCH 24 25 ATOM 25 O LIG 1 3.696 -4.083 1.030 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 2.900 -4.288 0.490 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 4.651 -1.870 1.182 0.00 0.00 +0.117 C BRANCH 27 28 ATOM 28 N LIG 1 5.434 -0.776 0.578 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 5.268 0.454 1.382 0.00 0.00 +0.120 C ATOM 30 C LIG 1 6.122 1.607 0.902 0.00 0.00 -0.030 A ATOM 31 C LIG 1 7.276 1.376 0.133 0.00 0.00 -0.042 A ATOM 32 C LIG 1 8.071 2.456 -0.273 0.00 0.00 +0.004 A ATOM 33 C LIG 1 7.737 3.756 0.103 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.605 3.987 0.881 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.619 -0.025 -0.305 0.00 0.00 +0.051 C ATOM 36 C LIG 1 5.803 2.918 1.282 0.00 0.00 +0.005 A ATOM 37 C LIG 1 6.868 -1.101 0.494 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 7 23 TORSDOF 9