REMARK Name = BDB035835 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.363 1.463 -0.222 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.308 0.677 0.720 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.084 -0.227 1.437 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.695 1.154 0.763 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.749 0.678 1.522 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.994 1.305 1.386 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.132 2.393 0.488 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.047 2.868 -0.275 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.825 2.221 -0.117 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.509 2.491 -0.774 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.860 0.070 -0.558 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.496 0.229 -0.221 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.722 1.331 -0.618 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.332 2.300 -1.421 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.676 2.188 -1.774 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.425 1.096 -1.338 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -4.442 -2.996 -1.230 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -5.563 -1.940 -1.172 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -4.741 -1.187 -0.062 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -4.051 -2.569 0.198 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.644 -0.740 1.159 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.233 -0.379 2.413 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -3.893 -0.317 2.929 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.365 -0.070 3.103 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -7.411 -0.230 2.327 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -6.957 -0.647 1.099 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -3.757 -3.178 -3.554 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -3.414 -2.805 -2.227 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.193 4.026 -1.225 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.910 3.676 -2.510 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.441 4.567 -1.245 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.344 5.046 -0.924 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.187 0.811 2.174 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.148 0.053 1.369 0.00 0.00 -0.310 NA ATOM 35 H LIG 1 6.353 0.580 0.519 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 5.634 -1.267 0.972 0.00 0.00 +0.109 C BRANCH 36 37 ATOM 37 C LIG 1 6.739 -2.112 0.322 0.00 0.00 +0.181 C BRANCH 37 38 ATOM 38 O LIG 1 7.267 -1.438 -0.819 0.00 0.00 -0.321 OA BRANCH 38 39 ATOM 39 C LIG 1 8.598 -1.017 -0.591 0.00 0.00 +0.483 C ATOM 40 F LIG 1 8.982 -0.293 -1.669 0.00 0.00 -0.178 F ATOM 41 F LIG 1 9.388 -2.116 -0.546 0.00 0.00 -0.178 F ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 11