REMARK Name = BDB030489 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.196 -0.233 1.224 0.00 0.00 +0.159 A ATOM 2 C LIG 1 -1.035 -0.517 0.642 0.00 0.00 +0.203 A ATOM 3 F LIG 1 -1.089 -1.226 -0.498 0.00 0.00 -0.198 F ATOM 4 C LIG 1 -2.180 0.001 1.238 0.00 0.00 +0.163 A ATOM 5 N LIG 1 -2.095 0.760 2.354 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 -0.867 0.963 2.852 0.00 0.00 +0.225 A ATOM 7 N LIG 1 0.285 0.501 2.348 0.00 0.00 -0.218 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 1.362 -0.793 0.654 0.00 0.00 -0.326 N ATOM 9 H LIG 1 1.298 -0.702 -0.359 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 2.622 -0.291 1.199 0.00 0.00 +0.109 C BRANCH 10 12 ATOM 11 C LIG 1 3.772 -2.517 0.837 0.00 0.00 +0.013 C ATOM 12 C LIG 1 3.845 -1.001 0.552 0.00 0.00 -0.014 C ATOM 13 C LIG 1 3.869 -0.749 -0.978 0.00 0.00 +0.023 C ATOM 14 C LIG 1 5.294 -0.602 -1.510 0.00 0.00 +0.085 C ATOM 15 N LIG 1 5.949 0.579 -0.939 0.00 0.00 -0.294 NA ATOM 16 C LIG 1 5.676 0.790 0.486 0.00 0.00 +0.085 C ATOM 17 C LIG 1 5.149 -0.457 1.199 0.00 0.00 +0.023 C BRANCH 15 18 ATOM 18 C LIG 1 7.381 0.602 -1.286 0.00 0.00 +0.180 C BRANCH 18 19 ATOM 19 C LIG 1 7.972 2.006 -1.123 0.00 0.00 +0.225 C ATOM 20 O LIG 1 7.670 2.972 -1.816 0.00 0.00 -0.275 OA ATOM 21 N LIG 1 8.905 2.139 -0.131 0.00 0.00 -0.328 N ATOM 22 H LIG 1 9.221 3.085 0.047 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 8.966 1.474 0.626 0.00 0.00 +0.145 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 4 24 ATOM 24 N LIG 1 -3.464 -0.283 0.668 0.00 0.00 -0.305 N BRANCH 24 25 ATOM 25 C LIG 1 -3.956 -1.656 0.985 0.00 0.00 +0.075 C ATOM 26 C LIG 1 -4.933 -2.377 0.094 0.00 0.00 +0.024 C ATOM 27 C LIG 1 -3.521 -2.861 0.194 0.00 0.00 +0.024 C ENDBRANCH 24 25 BRANCH 24 28 ATOM 28 C LIG 1 -4.418 0.790 1.018 0.00 0.00 +0.142 C BRANCH 28 29 ATOM 29 C LIG 1 -5.580 0.844 0.043 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -5.353 1.104 -1.316 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -6.418 1.167 -2.216 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -7.734 0.967 -1.776 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -7.962 0.718 -0.414 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -6.896 0.656 0.487 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -8.893 1.050 -2.737 0.00 0.00 +0.417 C ATOM 36 F LIG 1 -9.515 2.262 -2.696 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -8.534 0.859 -4.038 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -9.862 0.125 -2.481 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 4 24 TORSDOF 10