REMARK Name = BDB024946 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.603 -0.639 1.190 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.348 -1.250 1.016 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.195 -2.673 1.381 0.00 0.00 +0.082 C ATOM 4 C LIG 1 3.849 -2.826 2.868 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.211 -3.394 0.466 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.851 -2.737 0.524 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.955 -1.250 0.336 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.805 -0.531 -0.072 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.446 -1.014 -0.360 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.172 0.025 -0.722 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.439 1.195 -0.620 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.846 0.844 -0.242 0.00 0.00 +0.070 A ATOM 13 C LIG 1 2.020 1.565 -0.037 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.156 0.851 0.376 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.162 -0.540 0.574 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.920 0.500 0.867 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.910 2.551 -0.880 0.00 0.00 +0.115 C ATOM 18 C LIG 1 -0.775 3.499 0.320 0.00 0.00 +0.184 C ATOM 19 O LIG 1 -1.363 4.786 0.091 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -1.311 5.261 -1.253 0.00 0.00 +0.160 C ATOM 21 C LIG 1 -0.157 4.676 -2.051 0.00 0.00 +0.030 C ATOM 22 C LIG 1 -0.285 3.157 -2.150 0.00 0.00 +0.029 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 7.807 -0.913 1.981 0.00 0.00 +0.282 C ATOM 24 O LIG 1 6.511 -1.480 1.779 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -2.595 -0.106 -1.178 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -3.475 -0.725 -0.076 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 -4.784 -1.240 -0.659 0.00 0.00 -0.031 A ATOM 28 C LIG 1 -5.816 -0.365 -1.032 0.00 0.00 +0.042 A ATOM 29 C LIG 1 -6.995 -0.870 -1.575 0.00 0.00 +0.124 A ATOM 30 F LIG 1 -7.972 -0.025 -1.926 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -7.172 -2.235 -1.761 0.00 0.00 +0.038 A ATOM 32 C LIG 1 -6.151 -3.114 -1.405 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -4.963 -2.620 -0.860 0.00 0.00 +0.004 A ENDBRANCH 26 27 BRANCH 26 34 ATOM 34 C LIG 1 -3.708 0.271 1.053 0.00 0.00 +0.313 C ATOM 35 O LIG 1 -3.426 1.460 1.005 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 -4.297 -0.278 2.143 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -4.509 -1.226 2.037 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 26 34 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7