REMARK Name = BDB035327 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.190 -1.098 -0.707 0.00 0.00 +0.141 A ATOM 2 N LIG 1 0.456 -2.418 -0.740 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -0.539 -3.321 -0.575 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -1.855 -2.904 -0.391 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -2.169 -1.543 -0.379 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -1.117 -0.637 -0.546 0.00 0.00 +0.055 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.713 2.287 -1.065 0.00 0.00 +0.083 A ATOM 8 C LIG 1 3.466 1.645 -0.837 0.00 0.00 +0.036 A ATOM 9 C LIG 1 3.508 0.422 -1.476 0.00 0.00 +0.114 A ATOM 10 C LIG 1 2.443 -0.564 -1.517 0.00 0.00 +0.281 A ATOM 11 N LIG 1 1.284 -0.168 -0.792 0.00 0.00 -0.266 N ATOM 12 C LIG 1 1.242 1.075 -0.133 0.00 0.00 +0.109 A ATOM 13 O LIG 1 2.587 -1.581 -2.186 0.00 0.00 -0.265 OA ATOM 14 N LIG 1 4.727 0.298 -2.083 0.00 0.00 -0.351 N ATOM 15 H LIG 1 5.033 -0.512 -2.613 0.00 0.00 +0.166 HD ATOM 16 C LIG 1 2.260 1.963 -0.135 0.00 0.00 +0.082 A ATOM 17 CA LIG 1 5.482 1.424 -1.838 0.00 0.00 +0.060 A BRANCH 16 18 ATOM 18 C LIG 1 2.180 3.266 0.602 0.00 0.00 +0.419 C ATOM 19 F LIG 1 3.134 3.376 1.557 0.00 0.00 -0.166 F ATOM 20 F LIG 1 2.304 4.328 -0.232 0.00 0.00 -0.166 F ATOM 21 F LIG 1 0.983 3.420 1.235 0.00 0.00 -0.166 F ENDBRANCH 16 18 BRANCH 7 23 ATOM 22 N LIG 1 5.566 4.607 -0.283 0.00 0.00 -0.191 NA ATOM 23 C LIG 1 5.172 3.572 -0.625 0.00 0.00 +0.102 C ENDBRANCH 7 23 BRANCH 17 24 ATOM 24 C LIG 1 6.853 1.555 -2.395 0.00 0.00 +0.210 C BRANCH 24 25 ATOM 25 O LIG 1 7.499 0.311 -2.179 0.00 0.00 -0.389 OA ATOM 26 H LIG 1 7.674 0.248 -1.224 0.00 0.00 +0.210 HD ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 1 11 BRANCH 5 27 ATOM 27 C LIG 1 -3.564 -1.091 -0.208 0.00 0.00 -0.005 A ATOM 28 C LIG 1 -3.981 -0.217 0.821 0.00 0.00 +0.047 A ATOM 29 C LIG 1 -5.327 0.149 0.964 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -6.261 -0.326 0.056 0.00 0.00 +0.124 A ATOM 31 F LIG 1 -7.545 0.031 0.185 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -5.885 -1.165 -0.982 0.00 0.00 +0.039 A ATOM 33 C LIG 1 -4.547 -1.548 -1.111 0.00 0.00 +0.012 A BRANCH 28 34 ATOM 34 C LIG 1 -3.024 0.299 1.825 0.00 0.00 +0.247 C ATOM 35 N LIG 1 -2.769 1.644 1.794 0.00 0.00 -0.292 N ATOM 36 C LIG 1 -3.388 2.774 1.133 0.00 0.00 +0.146 C ATOM 37 C LIG 1 -2.376 3.663 1.879 0.00 0.00 +0.200 C ATOM 38 F LIG 1 -2.889 4.753 2.496 0.00 0.00 -0.242 F ATOM 39 C LIG 1 -2.070 2.452 2.778 0.00 0.00 +0.146 C ATOM 40 O LIG 1 -2.487 -0.475 2.607 0.00 0.00 -0.270 OA ENDBRANCH 28 34 ENDBRANCH 5 27 BRANCH 3 41 ATOM 41 C LIG 1 -0.191 -4.790 -0.606 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -0.384 -5.643 0.628 0.00 0.00 +0.010 C ATOM 43 C LIG 1 1.002 -5.296 0.173 0.00 0.00 +0.010 C ENDBRANCH 3 41 TORSDOF 8