REMARK Name = BDB042828 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.565 -0.301 -0.256 0.00 0.00 +0.128 C ATOM 2 C LIG 1 -1.432 0.707 0.093 0.00 0.00 +0.090 C ATOM 3 N LIG 1 -1.767 1.486 1.311 0.00 0.00 -0.339 N ATOM 4 H LIG 1 -1.035 2.148 1.565 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -3.024 2.099 1.317 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -4.130 1.509 0.707 0.00 0.00 +0.032 A ATOM 7 C LIG 1 -5.406 2.049 0.844 0.00 0.00 +0.054 A ATOM 8 C LIG 1 -5.604 3.218 1.578 0.00 0.00 +0.052 A ATOM 9 C LIG 1 -4.511 3.802 2.199 0.00 0.00 +0.126 A ATOM 10 F LIG 1 -4.684 4.908 2.934 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -6.541 1.329 0.253 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -7.679 1.778 0.311 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -6.246 0.122 -0.334 0.00 0.00 -0.242 N ATOM 14 H LIG 1 -7.019 -0.389 -0.752 0.00 0.00 +0.192 HD ATOM 15 N LIG 1 -5.002 -0.410 -0.496 0.00 0.00 -0.174 NA ATOM 16 C LIG 1 -3.238 3.243 2.095 0.00 0.00 +0.062 A ATOM 17 C LIG 1 -3.978 0.259 -0.043 0.00 0.00 +0.083 A ENDROOT BRANCH 1 20 ATOM 18 C LIG 1 -3.517 -3.044 -1.537 0.00 0.00 +0.174 C ATOM 19 N LIG 1 -2.896 -1.928 -2.204 0.00 0.00 -0.252 N ATOM 20 C LIG 1 -2.485 -0.717 -1.703 0.00 0.00 +0.138 A ATOM 21 N LIG 1 -2.020 0.012 -2.702 0.00 0.00 -0.219 NA ATOM 22 C LIG 1 -2.150 -0.805 -3.786 0.00 0.00 +0.245 A ATOM 23 N LIG 1 -2.660 -2.008 -3.528 0.00 0.00 -0.158 NA ENDBRANCH 1 20 BRANCH 2 24 ATOM 24 C LIG 1 -0.045 0.030 0.391 0.00 0.00 +0.013 C ATOM 25 C LIG 1 0.364 -1.117 -0.548 0.00 0.00 +0.021 C ATOM 26 C LIG 1 1.825 -1.504 -0.307 0.00 0.00 +0.085 C ATOM 27 N LIG 1 2.776 -0.432 -0.649 0.00 0.00 -0.299 NA ATOM 28 C LIG 1 2.148 0.897 -0.625 0.00 0.00 +0.085 C ATOM 29 C LIG 1 1.102 1.071 0.477 0.00 0.00 +0.021 C BRANCH 27 30 ATOM 30 C LIG 1 4.061 -0.532 0.083 0.00 0.00 +0.057 C ATOM 31 C LIG 1 4.679 -1.948 0.014 0.00 0.00 +0.024 C ATOM 32 C LIG 1 5.969 -2.083 0.832 0.00 0.00 +0.077 C ATOM 33 C LIG 1 6.699 -0.766 1.019 0.00 0.00 +0.249 C ATOM 34 F LIG 1 8.007 -1.004 1.280 0.00 0.00 -0.206 F ATOM 35 F LIG 1 6.200 -0.127 2.110 0.00 0.00 -0.206 F ATOM 36 C LIG 1 6.562 0.137 -0.184 0.00 0.00 +0.077 C ATOM 37 C LIG 1 5.098 0.490 -0.462 0.00 0.00 +0.024 C ENDBRANCH 27 30 ENDBRANCH 2 24 TORSDOF 3