REMARK Name = BDB038469 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.320 -0.785 2.505 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -3.016 -0.470 2.397 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -2.373 -0.700 1.238 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -3.010 -1.240 0.129 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -4.379 -1.476 0.206 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -5.035 -1.280 1.417 0.00 0.00 +0.053 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -5.111 -1.895 -0.978 0.00 0.00 +0.079 A ATOM 8 N LIG 1 -5.486 -3.207 -1.193 0.00 0.00 -0.266 N ATOM 9 C LIG 1 -5.307 -4.326 -0.293 0.00 0.00 +0.173 C ATOM 10 N LIG 1 -6.050 -3.424 -2.394 0.00 0.00 -0.179 NA ATOM 11 C LIG 1 -6.050 -2.220 -2.959 0.00 0.00 +0.146 A ATOM 12 C LIG 1 -5.495 -1.222 -2.129 0.00 0.00 +0.064 A BRANCH 12 13 ATOM 13 C LIG 1 -5.391 0.271 -2.582 0.00 0.00 +0.167 A ATOM 14 N LIG 1 -5.049 1.416 -1.911 0.00 0.00 -0.316 N ATOM 15 C LIG 1 -4.851 1.643 -0.508 0.00 0.00 +0.152 C ATOM 16 C LIG 1 -5.072 2.422 -2.833 0.00 0.00 +0.225 A ATOM 17 N LIG 1 -5.449 1.950 -3.994 0.00 0.00 -0.138 NA ATOM 18 N LIG 1 -5.675 0.608 -3.831 0.00 0.00 -0.129 NA ENDBRANCH 12 13 ENDBRANCH 5 7 BRANCH 3 19 ATOM 19 N LIG 1 -1.030 -0.353 1.095 0.00 0.00 -0.265 N ATOM 20 H LIG 1 -0.526 -0.686 0.279 0.00 0.00 +0.157 HD ATOM 21 C LIG 1 -0.362 0.600 1.837 0.00 0.00 +0.268 C ATOM 22 O LIG 1 -0.796 1.283 2.749 0.00 0.00 -0.268 OA BRANCH 21 23 ATOM 23 C LIG 1 1.018 0.834 1.254 0.00 0.00 +0.133 A ATOM 24 N LIG 1 1.442 0.007 0.239 0.00 0.00 -0.229 NA ATOM 25 C LIG 1 2.592 0.275 -0.291 0.00 0.00 +0.116 A ATOM 26 N LIG 1 3.388 1.343 0.068 0.00 0.00 -0.295 N ATOM 27 C LIG 1 2.978 2.205 1.069 0.00 0.00 +0.255 A ATOM 28 O LIG 1 3.592 3.216 1.415 0.00 0.00 -0.268 OA ATOM 29 C LIG 1 1.704 1.878 1.716 0.00 0.00 +0.103 A BRANCH 25 30 ATOM 30 C LIG 1 3.066 -0.654 -1.347 0.00 0.00 +0.055 C ATOM 31 C LIG 1 2.822 -0.321 -2.801 0.00 0.00 +0.012 C ATOM 32 C LIG 1 2.105 -1.473 -2.174 0.00 0.00 +0.012 C ENDBRANCH 25 30 BRANCH 26 33 ATOM 33 C LIG 1 4.675 1.633 -0.574 0.00 0.00 +0.142 C BRANCH 33 34 ATOM 34 C LIG 1 5.871 1.203 0.307 0.00 0.00 +0.106 C BRANCH 34 35 ATOM 35 N LIG 1 7.191 1.171 -0.322 0.00 0.00 -0.301 NA ATOM 36 C LIG 1 7.585 2.384 -1.027 0.00 0.00 +0.084 C ATOM 37 C LIG 1 8.880 1.948 -1.682 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.646 0.485 -2.037 0.00 0.00 +0.017 C ATOM 39 C LIG 1 7.412 0.065 -1.244 0.00 0.00 +0.084 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 3 19 BRANCH 1 40 ATOM 40 N LIG 1 -4.991 -0.653 3.737 0.00 0.00 -0.329 N ATOM 41 H LIG 1 -5.825 -0.081 3.600 0.00 0.00 +0.147 HD BRANCH 40 43 ATOM 42 C LIG 1 -3.395 -1.313 5.474 0.00 0.00 +0.024 C ATOM 43 C LIG 1 -4.186 -0.175 4.859 0.00 0.00 +0.099 C ENDBRANCH 40 43 ENDBRANCH 1 40 TORSDOF 10