REMARK Name = BDB038539 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.054 -0.285 -1.001 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.022 -1.079 -1.513 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.021 -1.943 -2.370 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.204 -0.702 -0.797 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.484 -1.203 -0.954 0.00 0.00 +0.019 A ATOM 6 C LIG 1 -3.502 -0.674 -0.148 0.00 0.00 -0.021 A ATOM 7 C LIG 1 -3.183 0.325 0.804 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -1.874 0.825 0.951 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.892 0.288 0.125 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.565 0.608 0.041 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.722 0.550 -1.165 0.00 0.00 -0.015 A ATOM 12 C LIG 1 3.362 0.536 -0.787 0.00 0.00 +0.032 A ATOM 13 C LIG 1 2.416 -0.296 -1.414 0.00 0.00 +0.038 A ATOM 14 C LIG 1 2.866 -1.122 -2.449 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.205 -1.116 -2.849 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.123 -0.283 -2.215 0.00 0.00 +0.008 A BRANCH 11 18 ATOM 17 C LIG 1 6.864 0.951 0.158 0.00 0.00 +0.027 A ATOM 18 C LIG 1 5.687 1.428 -0.470 0.00 0.00 -0.007 A ATOM 19 C LIG 1 5.441 2.818 -0.447 0.00 0.00 +0.009 A ATOM 20 C LIG 1 6.324 3.708 0.167 0.00 0.00 +0.001 A ATOM 21 C LIG 1 7.483 3.231 0.766 0.00 0.00 +0.001 A ATOM 22 C LIG 1 7.753 1.864 0.755 0.00 0.00 +0.012 A BRANCH 17 25 ATOM 23 C LIG 1 5.342 -1.395 1.608 0.00 0.00 +0.152 C ATOM 24 N LIG 1 6.543 -1.476 0.824 0.00 0.00 -0.317 N ATOM 25 C LIG 1 7.234 -0.464 0.203 0.00 0.00 +0.164 A ATOM 26 N LIG 1 8.334 -0.983 -0.317 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 8.337 -2.337 -0.078 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 7.254 -2.617 0.605 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.543 1.896 1.954 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -0.568 1.500 2.820 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.595 2.283 2.723 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -1.068 3.026 1.361 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -4.909 -1.214 -0.266 0.00 0.00 +0.195 C BRANCH 33 34 ATOM 34 O LIG 1 -5.844 -0.156 -0.063 0.00 0.00 -0.372 OA BRANCH 34 35 ATOM 35 C LIG 1 -7.207 -0.571 -0.190 0.00 0.00 +0.123 C ATOM 36 C LIG 1 -8.044 0.676 -0.490 0.00 0.00 +0.059 C ATOM 37 C LIG 1 -9.485 0.530 -0.020 0.00 0.00 +0.162 C ATOM 38 O LIG 1 -9.868 -0.841 -0.029 0.00 0.00 -0.380 OA ATOM 39 C LIG 1 -9.183 -1.603 0.966 0.00 0.00 +0.162 C ATOM 40 C LIG 1 -7.708 -1.233 1.089 0.00 0.00 +0.059 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7