REMARK Name = BDB035435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.278 -0.520 -0.160 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.841 -1.030 -0.818 0.00 0.00 +0.253 C ATOM 3 O LIG 1 0.977 -1.544 -1.913 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.978 -0.848 0.095 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.304 -1.190 -0.098 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.211 -0.922 0.938 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.752 -0.302 2.125 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.398 0.046 2.304 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.521 -0.246 1.263 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.049 -0.005 1.156 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.027 -1.027 -2.417 0.00 0.00 +0.217 A ATOM 12 N LIG 1 -1.784 -1.031 -1.912 0.00 0.00 -0.198 NA ATOM 13 C LIG 1 -1.583 -0.508 -0.693 0.00 0.00 +0.132 A ATOM 14 C LIG 1 -2.647 0.032 0.032 0.00 0.00 +0.049 A ATOM 15 C LIG 1 -3.969 0.042 -0.474 0.00 0.00 -0.025 A ATOM 16 C LIG 1 -4.126 -0.514 -1.749 0.00 0.00 +0.072 A BRANCH 15 17 ATOM 17 C LIG 1 -5.177 0.655 0.397 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -5.157 2.215 0.578 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -6.141 2.310 -0.609 0.00 0.00 +0.120 C ATOM 20 C LIG 1 -6.583 0.873 -0.252 0.00 0.00 +0.051 C BRANCH 17 21 ATOM 21 C LIG 1 -5.253 -0.107 1.778 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.831 -1.319 2.036 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.531 -2.176 1.120 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.585 -1.579 3.349 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.886 -0.596 3.867 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.671 0.331 2.875 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 O LIG 1 -7.179 3.306 -0.516 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -6.767 4.649 -0.726 0.00 0.00 +0.194 C ENDBRANCH 19 27 ENDBRANCH 15 17 BRANCH 11 29 ATOM 29 O LIG 1 -3.266 -1.551 -3.672 0.00 0.00 -0.477 OA BRANCH 29 31 ATOM 30 C LIG 1 -1.353 -0.996 -5.071 0.00 0.00 +0.048 C ATOM 31 C LIG 1 -2.108 -2.083 -4.324 0.00 0.00 +0.227 C ENDBRANCH 29 31 ENDBRANCH 11 29 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 1.910 0.696 3.571 0.00 0.00 +0.418 C ATOM 33 F LIG 1 2.907 1.022 4.437 0.00 0.00 -0.166 F ATOM 34 F LIG 1 1.230 1.850 3.328 0.00 0.00 -0.166 F ATOM 35 F LIG 1 1.054 -0.105 4.261 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.677 -1.260 0.766 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 6.352 -0.210 0.004 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 6.100 0.695 0.401 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 7.802 -0.441 -0.103 0.00 0.00 +0.017 C ATOM 40 C LIG 1 8.435 0.869 -0.665 0.00 0.00 +0.022 C ATOM 41 C LIG 1 9.510 0.743 0.437 0.00 0.00 +0.004 C ATOM 42 C LIG 1 8.498 -0.098 1.244 0.00 0.00 +0.022 C ATOM 43 C LIG 1 8.197 -1.710 -0.837 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 10