REMARK Name = BDB008133 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.119 0.329 0.322 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.250 -0.876 0.046 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -0.878 -0.843 -0.096 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -0.492 -1.349 -0.886 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -2.881 -0.036 0.687 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -2.943 -2.029 -0.711 0.00 0.00 +0.159 C BRANCH 6 7 ATOM 7 N LIG 1 -4.228 -2.271 -0.060 0.00 0.00 -0.304 N ATOM 8 H LIG 1 -4.797 -1.441 0.071 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 -4.331 -3.227 0.925 0.00 0.00 +0.211 C ATOM 10 O LIG 1 -3.452 -4.043 1.180 0.00 0.00 -0.276 OA ATOM 11 C LIG 1 -5.632 -3.189 1.682 0.00 0.00 +0.109 C ENDBRANCH 6 7 BRANCH 6 13 ATOM 12 C LIG 1 -3.682 -2.776 -3.021 0.00 0.00 +0.006 C ATOM 13 C LIG 1 -3.129 -1.633 -2.180 0.00 0.00 +0.028 C ENDBRANCH 6 13 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 14 ATOM 14 C LIG 1 0.110 1.219 -0.921 0.00 0.00 +0.234 C ATOM 15 N LIG 1 0.575 2.490 -0.637 0.00 0.00 -0.303 N ATOM 16 H LIG 1 0.903 2.651 0.309 0.00 0.00 +0.149 HD ATOM 17 O LIG 1 -0.032 0.799 -2.070 0.00 0.00 -0.274 OA BRANCH 15 18 ATOM 18 C LIG 1 1.275 3.243 -1.670 0.00 0.00 +0.156 C ATOM 19 C LIG 1 1.154 4.739 -1.419 0.00 0.00 +0.038 C BRANCH 18 20 ATOM 20 C LIG 1 2.761 2.817 -1.649 0.00 0.00 +0.231 C ATOM 21 O LIG 1 3.291 2.211 -0.718 0.00 0.00 -0.274 OA ATOM 22 N LIG 1 3.501 3.201 -2.733 0.00 0.00 -0.328 N ATOM 23 H LIG 1 4.448 2.845 -2.776 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 3.055 3.421 -3.614 0.00 0.00 +0.145 HD ENDBRANCH 18 20 ENDBRANCH 15 18 ENDBRANCH 1 14 BRANCH 1 25 ATOM 25 C LIG 1 1.252 -0.065 0.876 0.00 0.00 +0.033 C BRANCH 25 26 ATOM 26 C LIG 1 1.190 -0.876 2.171 0.00 0.00 +0.023 C BRANCH 26 27 ATOM 27 C LIG 1 2.593 -1.104 2.737 0.00 0.00 +0.115 C BRANCH 27 28 ATOM 28 N LIG 1 3.138 0.157 3.224 0.00 0.00 -0.356 N ATOM 29 H LIG 1 2.981 0.262 4.224 0.00 0.00 +0.162 HD BRANCH 28 30 ATOM 30 C LIG 1 4.396 0.568 2.953 0.00 0.00 +0.188 C ATOM 31 N LIG 1 5.146 0.996 3.903 0.00 0.00 -0.269 NA ATOM 32 H LIG 1 6.058 1.252 3.523 0.00 0.00 +0.190 HD BRANCH 30 33 ATOM 33 N LIG 1 4.771 0.528 1.661 0.00 0.00 -0.370 N ATOM 34 H LIG 1 5.596 1.071 1.445 0.00 0.00 +0.159 HD ATOM 35 H LIG 1 4.026 0.798 1.022 0.00 0.00 +0.159 HD ENDBRANCH 30 33 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 13