REMARK Name = BDB011907 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.004 0.563 -0.215 0.00 0.00 +0.238 C ATOM 2 N LIG 1 0.433 -0.551 0.475 0.00 0.00 -0.280 N ATOM 3 C LIG 1 1.279 -0.406 1.689 0.00 0.00 +0.193 C ATOM 4 C LIG 1 1.104 -1.748 2.364 0.00 0.00 -0.014 A ATOM 5 C LIG 1 0.401 -2.625 1.531 0.00 0.00 -0.025 A ATOM 6 C LIG 1 0.128 -3.926 1.922 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.565 -4.343 3.181 0.00 0.00 +0.000 A ATOM 8 C LIG 1 1.262 -3.464 4.023 0.00 0.00 +0.000 A ATOM 9 C LIG 1 1.535 -2.156 3.617 0.00 0.00 +0.006 A ATOM 10 C LIG 1 0.018 -1.938 0.264 0.00 0.00 +0.144 C ATOM 11 O LIG 1 0.506 1.657 0.043 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 2.786 -0.092 1.415 0.00 0.00 +0.242 C ATOM 13 N LIG 1 3.008 0.755 0.342 0.00 0.00 -0.279 N ATOM 14 H LIG 1 2.225 1.373 0.109 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 3.676 -0.443 2.191 0.00 0.00 -0.273 OA BRANCH 13 16 ATOM 16 C LIG 1 4.263 1.120 -0.195 0.00 0.00 +0.105 A ATOM 17 C LIG 1 4.338 2.326 -0.900 0.00 0.00 +0.147 A ATOM 18 F LIG 1 3.239 3.084 -1.039 0.00 0.00 -0.203 F ATOM 19 C LIG 1 5.531 2.776 -1.464 0.00 0.00 +0.040 A ATOM 20 C LIG 1 6.684 2.006 -1.343 0.00 0.00 +0.006 A ATOM 21 C LIG 1 6.625 0.783 -0.675 0.00 0.00 +0.040 A ATOM 22 C LIG 1 5.422 0.343 -0.116 0.00 0.00 +0.147 A ATOM 23 F LIG 1 5.407 -0.888 0.415 0.00 0.00 -0.203 F ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 24 ATOM 24 C LIG 1 -1.012 0.372 -1.398 0.00 0.00 +0.164 C BRANCH 24 26 ATOM 25 C LIG 1 -3.015 0.160 0.087 0.00 0.00 +0.230 C ATOM 26 N LIG 1 -2.256 -0.285 -0.977 0.00 0.00 -0.302 N ATOM 27 H LIG 1 -2.714 -0.879 -1.657 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 -2.652 1.050 0.849 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 -4.356 -0.586 0.257 0.00 0.00 +0.137 C ATOM 30 C LIG 1 -5.425 0.141 -0.553 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 -3.927 -1.544 2.451 0.00 0.00 +0.101 C ATOM 32 N LIG 1 -4.758 -0.625 1.677 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 -4.624 0.318 2.057 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 24 26 BRANCH 24 34 ATOM 34 C LIG 1 -1.247 1.616 -2.326 0.00 0.00 -0.011 C ATOM 35 C LIG 1 -2.163 1.211 -3.507 0.00 0.00 +0.013 C ATOM 36 C LIG 1 0.092 2.081 -2.945 0.00 0.00 +0.013 C ATOM 37 C LIG 1 -1.905 2.809 -1.613 0.00 0.00 +0.013 C ENDBRANCH 24 34 ENDBRANCH 1 24 TORSDOF 7