REMARK Name = BDB062493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.795 -2.699 -1.235 0.00 0.00 +0.105 C ATOM 2 N LIG 1 -5.017 -1.463 -1.298 0.00 0.00 -0.302 NA ATOM 3 C LIG 1 -3.588 -1.735 -1.041 0.00 0.00 +0.109 C ATOM 4 C LIG 1 -2.673 -0.463 -1.081 0.00 0.00 +0.116 C ATOM 5 N LIG 1 -3.227 0.609 -0.193 0.00 0.00 -0.292 N ATOM 6 C LIG 1 -2.556 1.841 -0.185 0.00 0.00 +0.222 A ATOM 7 N LIG 1 -1.217 1.878 -0.197 0.00 0.00 -0.198 NA ATOM 8 C LIG 1 -0.560 3.058 -0.094 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.856 3.082 0.002 0.00 0.00 -0.298 N ATOM 10 H LIG 1 1.250 3.871 -0.500 0.00 0.00 +0.154 HD ATOM 11 C LIG 1 1.764 2.039 0.249 0.00 0.00 +0.036 A ATOM 12 C LIG 1 1.400 0.853 0.882 0.00 0.00 +0.070 A ATOM 13 C LIG 1 2.324 -0.181 1.084 0.00 0.00 +0.144 A ATOM 14 O LIG 1 1.815 -1.358 1.574 0.00 0.00 -0.488 OA ATOM 15 C LIG 1 1.259 -2.146 0.503 0.00 0.00 +0.257 C ATOM 16 C LIG 1 -0.203 -2.501 0.795 0.00 0.00 +0.201 C ATOM 17 O LIG 1 -1.137 -1.434 0.602 0.00 0.00 -0.375 OA ATOM 18 C LIG 1 3.681 -0.017 0.764 0.00 0.00 +0.081 A ATOM 19 N LIG 1 4.703 -0.979 1.053 0.00 0.00 -0.271 N ATOM 20 C LIG 1 5.965 -0.918 0.465 0.00 0.00 +0.220 C ATOM 21 C LIG 1 6.148 0.126 -0.608 0.00 0.00 +0.101 C ATOM 22 C LIG 1 5.502 1.428 -0.193 0.00 0.00 +0.046 C ATOM 23 O LIG 1 6.879 -1.705 0.719 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 4.471 -2.015 2.047 0.00 0.00 +0.138 C ATOM 25 C LIG 1 4.058 1.187 0.143 0.00 0.00 -0.020 A ATOM 26 C LIG 1 3.109 2.199 -0.099 0.00 0.00 +0.029 A ATOM 27 C LIG 1 -1.250 4.252 -0.025 0.00 0.00 +0.135 A ATOM 28 CL LIG 1 -0.475 5.785 0.066 0.00 0.00 -0.075 Cl ATOM 29 C LIG 1 -2.614 4.133 -0.039 0.00 0.00 +0.238 A ATOM 30 F LIG 1 -3.370 5.242 0.019 0.00 0.00 -0.182 F ATOM 31 N LIG 1 -3.276 2.967 -0.107 0.00 0.00 -0.184 NA ATOM 32 C LIG 1 -4.691 0.806 -0.329 0.00 0.00 +0.124 C ATOM 33 C LIG 1 -1.243 -0.970 -0.749 0.00 0.00 +0.183 C ATOM 34 C LIG 1 -5.478 -0.513 -0.269 0.00 0.00 +0.103 C ENDROOT TORSDOF 0