REMARK Name = BDB000884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.134 0.135 -0.772 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -2.753 -0.311 0.405 0.00 0.00 +0.164 A ATOM 3 C LIG 1 -1.978 -0.537 1.546 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -0.603 -0.338 1.554 0.00 0.00 +0.080 A ATOM 5 C LIG 1 0.032 0.087 0.381 0.00 0.00 +0.044 A ATOM 6 C LIG 1 1.433 0.242 0.476 0.00 0.00 +0.135 A ATOM 7 N LIG 1 2.096 0.067 1.640 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 1.372 -0.341 2.686 0.00 0.00 +0.223 A ATOM 9 N LIG 1 0.055 -0.560 2.694 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -0.751 0.332 -0.779 0.00 0.00 +0.062 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -2.392 0.911 -3.021 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -2.957 0.345 -1.847 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 6 13 ATOM 13 N LIG 1 2.169 0.654 -0.671 0.00 0.00 -0.284 N ATOM 14 H LIG 1 1.820 0.207 -1.513 0.00 0.00 +0.155 HD BRANCH 13 15 ATOM 15 C LIG 1 3.470 1.039 -0.684 0.00 0.00 +0.120 A ATOM 16 N LIG 1 4.182 1.323 0.450 0.00 0.00 -0.264 N ATOM 17 H LIG 1 3.840 1.246 1.403 0.00 0.00 +0.190 HD ATOM 18 N LIG 1 5.460 1.688 0.218 0.00 0.00 -0.177 NA ATOM 19 C LIG 1 5.557 1.651 -1.122 0.00 0.00 +0.073 A ATOM 20 C LIG 1 4.343 1.243 -1.726 0.00 0.00 +0.068 A BRANCH 19 21 ATOM 21 C LIG 1 6.841 2.008 -1.790 0.00 0.00 +0.153 C BRANCH 21 22 ATOM 22 C LIG 1 7.906 0.934 -1.619 0.00 0.00 +0.223 C ATOM 23 N LIG 1 8.081 0.536 -0.304 0.00 0.00 -0.285 N ATOM 24 H LIG 1 7.392 0.910 0.353 0.00 0.00 +0.155 HD ATOM 25 O LIG 1 8.554 0.543 -2.587 0.00 0.00 -0.275 OA BRANCH 23 26 ATOM 26 C LIG 1 9.006 -0.390 0.211 0.00 0.00 +0.036 A ATOM 27 C LIG 1 8.919 -0.685 1.576 0.00 0.00 +0.061 A ATOM 28 C LIG 1 9.805 -1.592 2.150 0.00 0.00 +0.125 A ATOM 29 F LIG 1 9.709 -1.866 3.458 0.00 0.00 -0.205 F ATOM 30 C LIG 1 10.786 -2.216 1.392 0.00 0.00 +0.038 A ATOM 31 C LIG 1 10.882 -1.926 0.034 0.00 0.00 +0.005 A ATOM 32 C LIG 1 9.995 -1.016 -0.554 0.00 0.00 +0.023 A ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 2 33 ATOM 33 O LIG 1 -4.111 -0.495 0.338 0.00 0.00 -0.488 OA BRANCH 33 34 ATOM 34 C LIG 1 -4.801 -0.843 1.536 0.00 0.00 +0.230 C BRANCH 34 35 ATOM 35 C LIG 1 -6.298 -0.930 1.236 0.00 0.00 +0.056 C BRANCH 35 36 ATOM 36 C LIG 1 -6.868 0.430 0.803 0.00 0.00 +0.087 C BRANCH 36 37 ATOM 37 N LIG 1 -8.318 0.485 0.545 0.00 0.00 -0.303 NA ATOM 38 C LIG 1 -9.106 0.189 1.740 0.00 0.00 +0.105 C BRANCH 37 39 ATOM 39 C LIG 1 -8.708 -0.359 -0.604 0.00 0.00 +0.112 C BRANCH 39 40 ATOM 40 C LIG 1 -10.144 -0.116 -1.102 0.00 0.00 +0.171 C BRANCH 40 41 ATOM 41 O LIG 1 -11.086 -0.868 -0.340 0.00 0.00 -0.394 OA ATOM 42 H LIG 1 -11.969 -0.599 -0.647 0.00 0.00 +0.209 HD ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 14