REMARK Name = BDB035710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.089 -0.429 -0.698 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.160 -0.971 -1.415 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.228 -1.415 -2.546 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.328 -0.943 -0.526 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.618 -1.370 -0.786 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.580 -1.244 0.229 0.00 0.00 -0.029 A ATOM 7 C LIG 1 4.186 -0.690 1.475 0.00 0.00 +0.018 A ATOM 8 C LIG 1 2.868 -0.257 1.723 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.946 -0.398 0.692 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.495 -0.042 0.648 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.580 0.482 -0.729 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.233 0.288 -0.329 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.242 -0.251 -1.168 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.619 -0.600 -2.466 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.931 -0.418 -2.905 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.893 0.114 -2.048 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -5.917 2.788 0.773 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -4.393 2.551 0.769 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -4.658 1.078 0.299 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -6.029 1.615 -0.229 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -4.854 0.064 1.510 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.248 -1.246 1.450 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.576 -2.023 0.287 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.255 -1.694 2.735 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.890 -0.725 3.540 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.634 0.383 2.769 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.742 4.320 0.326 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -6.343 4.077 0.284 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.463 0.326 3.051 0.00 0.00 +0.418 C ATOM 30 F LIG 1 3.496 0.471 3.924 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.902 1.560 2.921 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.535 -0.441 3.685 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 6.029 -1.689 0.034 0.00 0.00 +0.087 C BRANCH 33 34 ATOM 34 C LIG 1 6.938 -0.694 -0.778 0.00 0.00 -0.018 C ATOM 35 C LIG 1 6.525 -0.546 -2.256 0.00 0.00 +0.012 C ATOM 36 C LIG 1 8.401 -1.197 -0.745 0.00 0.00 +0.012 C ATOM 37 C LIG 1 6.919 0.707 -0.128 0.00 0.00 +0.012 C ENDBRANCH 33 34 BRANCH 33 38 ATOM 38 N LIG 1 6.080 -3.061 -0.486 0.00 0.00 -0.323 NA ATOM 39 H LIG 1 5.478 -3.656 0.082 0.00 0.00 +0.119 HD ATOM 40 H LIG 1 5.707 -3.095 -1.431 0.00 0.00 +0.119 HD ENDBRANCH 33 38 ENDBRANCH 6 33 TORSDOF 8