REMARK Name = BDB062008 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.099 1.927 0.085 0.00 0.00 -0.008 C ATOM 2 C LIG 1 0.698 0.505 0.063 0.00 0.00 +0.022 C ATOM 3 C LIG 1 2.065 0.425 0.739 0.00 0.00 +0.108 C ATOM 4 N LIG 1 3.026 1.352 0.140 0.00 0.00 -0.297 N ATOM 5 C LIG 1 4.395 1.118 0.033 0.00 0.00 +0.249 C ATOM 6 O LIG 1 5.156 1.826 -0.625 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 2.492 2.567 -0.470 0.00 0.00 +0.108 C ATOM 8 C LIG 1 1.197 3.002 0.202 0.00 0.00 +0.022 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 4.987 -0.047 0.711 0.00 0.00 +0.072 A ATOM 10 C LIG 1 4.931 -0.178 2.094 0.00 0.00 +0.135 A ATOM 11 F LIG 1 4.307 0.735 2.852 0.00 0.00 -0.205 F ATOM 12 C LIG 1 5.522 -1.271 2.720 0.00 0.00 +0.039 A ATOM 13 C LIG 1 6.196 -2.229 1.958 0.00 0.00 +0.007 A ATOM 14 C LIG 1 6.301 -2.090 0.564 0.00 0.00 -0.041 A ATOM 15 C LIG 1 5.678 -0.995 -0.056 0.00 0.00 +0.020 A BRANCH 14 16 ATOM 16 C LIG 1 7.031 -3.143 -0.243 0.00 0.00 +0.093 C BRANCH 16 17 ATOM 17 C LIG 1 7.867 -2.589 -1.391 0.00 0.00 +0.074 A ATOM 18 C LIG 1 9.147 -1.888 -1.111 0.00 0.00 +0.011 A ATOM 19 C LIG 1 9.859 -1.404 -2.207 0.00 0.00 +0.050 A ATOM 20 C LIG 1 11.071 -0.725 -2.029 0.00 0.00 +0.014 A ATOM 21 C LIG 1 11.573 -0.530 -0.742 0.00 0.00 +0.001 A ATOM 22 C LIG 1 10.868 -1.015 0.359 0.00 0.00 +0.001 A ATOM 23 C LIG 1 9.324 -1.615 -3.562 0.00 0.00 +0.272 A ATOM 24 O LIG 1 9.926 -1.223 -4.557 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 8.123 -2.277 -3.642 0.00 0.00 -0.242 N ATOM 26 H LIG 1 7.737 -2.428 -4.570 0.00 0.00 +0.192 HD ATOM 27 C LIG 1 9.658 -1.694 0.179 0.00 0.00 +0.010 A ATOM 28 N LIG 1 7.401 -2.761 -2.595 0.00 0.00 -0.175 NA ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 5 9 BRANCH 1 29 ATOM 29 C LIG 1 -0.936 2.125 1.214 0.00 0.00 +0.015 C BRANCH 29 30 ATOM 30 C LIG 1 -2.248 1.362 1.022 0.00 0.00 +0.121 C BRANCH 30 31 ATOM 31 C LIG 1 -3.198 2.086 0.093 0.00 0.00 +0.307 C ATOM 32 O LIG 1 -2.913 2.453 -1.038 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 O LIG 1 -4.405 2.251 0.697 0.00 0.00 -0.460 OA BRANCH 33 34 ATOM 34 C LIG 1 -5.417 2.878 -0.105 0.00 0.00 +0.267 C BRANCH 34 42 ATOM 35 C LIG 1 -7.497 0.194 4.296 0.00 0.00 +0.020 C ATOM 36 C LIG 1 -8.000 -0.482 3.258 0.00 0.00 +0.040 C ATOM 37 C LIG 1 -8.150 -0.133 1.827 0.00 0.00 +0.089 C ATOM 38 C LIG 1 -7.886 -1.511 1.268 0.00 0.00 +0.189 C ATOM 39 C LIG 1 -8.215 -1.496 -0.215 0.00 0.00 +0.057 C ATOM 40 C LIG 1 -7.230 -0.523 -0.949 0.00 0.00 -0.003 C ATOM 41 C LIG 1 -6.906 0.755 -0.124 0.00 0.00 -0.038 C ATOM 42 C LIG 1 -6.213 1.827 -0.856 0.00 0.00 -0.011 C ATOM 43 C LIG 1 -6.267 1.868 -2.203 0.00 0.00 -0.020 C ATOM 44 C LIG 1 -7.004 0.890 -3.071 0.00 0.00 +0.028 C ATOM 45 C LIG 1 -7.877 -0.086 -2.282 0.00 0.00 +0.015 C ATOM 46 C LIG 1 -5.916 -1.303 -1.223 0.00 0.00 +0.016 C ATOM 47 O LIG 1 -8.666 -2.370 2.088 0.00 0.00 -0.457 OA ATOM 48 C LIG 1 -7.292 0.893 1.166 0.00 0.00 -0.011 C ATOM 49 C LIG 1 -8.549 -1.872 3.365 0.00 0.00 +0.336 C ATOM 50 O LIG 1 -8.860 -2.450 4.389 0.00 0.00 -0.245 OA ENDBRANCH 34 42 ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 9