REMARK Name = BDB035729 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.093 -0.405 0.737 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -1.264 -0.925 1.303 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.481 -1.404 2.400 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.320 -0.802 0.289 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.647 -1.181 0.371 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.466 -0.962 -0.748 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.921 -0.352 -1.903 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.566 0.028 -1.969 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.778 -0.215 -0.847 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.328 0.063 -0.621 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.564 0.306 1.255 0.00 0.00 -0.035 A ATOM 12 C LIG 1 2.284 0.221 0.669 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.187 -0.334 1.354 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.407 -0.810 2.651 0.00 0.00 +0.023 A ATOM 15 C LIG 1 2.672 -0.745 3.243 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.745 -0.195 2.550 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 4.723 0.917 0.473 0.00 0.00 +0.090 C BRANCH 17 18 ATOM 18 C LIG 1 5.465 1.968 1.256 0.00 0.00 +0.141 A ATOM 19 N LIG 1 4.926 3.151 1.700 0.00 0.00 -0.320 N ATOM 20 C LIG 1 3.581 3.631 1.532 0.00 0.00 +0.151 C ATOM 21 C LIG 1 5.926 3.805 2.352 0.00 0.00 +0.224 A ATOM 22 N LIG 1 7.021 3.085 2.311 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 6.733 1.931 1.624 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 26 ATOM 24 C LIG 1 6.526 -1.230 -1.682 0.00 0.00 +0.056 C ATOM 25 C LIG 1 6.747 0.158 -1.028 0.00 0.00 +0.015 C ATOM 26 C LIG 1 5.656 -0.213 0.013 0.00 0.00 +0.005 C ATOM 27 C LIG 1 5.105 -1.196 -1.057 0.00 0.00 +0.015 C BRANCH 24 29 ATOM 28 C LIG 1 8.928 -2.246 -1.649 0.00 0.00 +0.086 C ATOM 29 C LIG 1 7.477 -2.391 -1.262 0.00 0.00 +0.133 C ATOM 30 O LIG 1 7.104 -3.402 -0.656 0.00 0.00 -0.297 OA ENDBRANCH 24 29 ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 -1.982 0.671 -3.198 0.00 0.00 +0.418 C ATOM 32 F LIG 1 -2.883 0.872 -4.196 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -1.438 1.890 -2.930 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -0.976 -0.070 -3.737 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 -5.926 -1.363 -0.705 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 -6.687 -0.443 0.140 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 -6.448 0.512 -0.124 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 -8.132 -0.729 0.110 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -8.848 0.443 0.848 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -9.848 0.483 -0.329 0.00 0.00 +0.004 C ATOM 41 C LIG 1 -8.755 -0.171 -1.202 0.00 0.00 +0.022 C ATOM 42 C LIG 1 -8.526 -2.119 0.581 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9