REMARK Name = BDB011793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.283 0.540 0.347 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.125 0.131 -0.552 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.131 0.443 -1.749 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.921 -0.547 0.058 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.863 -1.062 1.397 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.298 -1.663 1.949 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.238 -2.167 3.265 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.927 -2.098 4.027 0.00 0.00 +0.002 A ATOM 9 C LIG 1 2.067 -1.530 3.483 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -1.516 -1.855 1.208 0.00 0.00 -0.267 N ATOM 11 C LIG 1 -2.200 -3.084 1.304 0.00 0.00 +0.220 C ATOM 12 O LIG 1 -1.714 -4.097 1.812 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 2.035 -1.027 2.182 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -2.139 -0.694 0.569 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -2.927 2.408 0.302 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -2.019 1.601 -0.348 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -1.724 1.805 -1.299 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -3.223 2.216 1.478 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -3.494 3.541 -0.587 0.00 0.00 +0.137 C ATOM 20 C LIG 1 -2.448 4.652 -0.689 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -5.857 3.161 -0.135 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -4.749 4.105 -0.053 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -4.993 4.947 -0.572 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 2.152 -0.696 -0.717 0.00 0.00 +0.153 C BRANCH 24 25 ATOM 25 C LIG 1 3.151 0.468 -0.800 0.00 0.00 +0.020 A ATOM 26 C LIG 1 4.340 0.253 -1.588 0.00 0.00 -0.010 A ATOM 27 C LIG 1 5.298 1.294 -1.700 0.00 0.00 -0.017 A ATOM 28 C LIG 1 6.470 1.120 -2.455 0.00 0.00 +0.023 A ATOM 29 C LIG 1 6.723 -0.088 -3.107 0.00 0.00 +0.059 A ATOM 30 C LIG 1 5.794 -1.118 -3.038 0.00 0.00 +0.015 A ATOM 31 C LIG 1 5.076 2.512 -1.057 0.00 0.00 +0.012 A ATOM 32 C LIG 1 3.928 2.721 -0.298 0.00 0.00 +0.046 A ATOM 33 C LIG 1 4.627 -0.949 -2.286 0.00 0.00 +0.010 A ATOM 34 C LIG 1 2.964 1.719 -0.161 0.00 0.00 +0.125 A BRANCH 29 35 ATOM 35 C LIG 1 7.950 -0.289 -3.908 0.00 0.00 +0.337 C ATOM 36 O LIG 1 7.957 -0.851 -4.988 0.00 0.00 -0.245 OA BRANCH 35 37 ATOM 37 O LIG 1 9.059 0.174 -3.293 0.00 0.00 -0.477 OA ATOM 38 H LIG 1 8.929 0.434 -2.362 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 29 35 BRANCH 34 39 ATOM 39 O LIG 1 1.835 1.892 0.593 0.00 0.00 -0.495 OA ATOM 40 C LIG 1 1.571 3.171 1.155 0.00 0.00 +0.277 C ENDBRANCH 34 39 ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 41 ATOM 41 C LIG 1 -3.599 -3.134 0.694 0.00 0.00 +0.097 C BRANCH 41 42 ATOM 42 C LIG 1 -4.290 -4.478 0.943 0.00 0.00 +0.024 C BRANCH 42 43 ATOM 43 C LIG 1 -5.691 -4.495 0.336 0.00 0.00 +0.078 C BRANCH 43 44 ATOM 44 N LIG 1 -6.350 -5.774 0.569 0.00 0.00 -0.330 NA ATOM 45 H LIG 1 -6.394 -5.957 1.572 0.00 0.00 +0.118 HD ATOM 46 H LIG 1 -5.781 -6.527 0.181 0.00 0.00 +0.118 HD ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 11 41 TORSDOF 12