REMARK Name = BDB009373 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.262 0.651 -0.157 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.313 1.876 0.498 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.222 2.801 0.159 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.572 2.152 1.535 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.532 1.204 1.900 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.626 -0.021 1.218 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -0.711 -0.295 0.190 0.00 0.00 +0.020 A ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 6.728 -0.734 -0.673 0.00 0.00 +0.215 C ATOM 9 N LIG 1 5.369 -0.459 -0.722 0.00 0.00 -0.298 N ATOM 10 C LIG 1 4.656 0.405 0.225 0.00 0.00 +0.126 C ATOM 11 C LIG 1 3.147 0.122 0.276 0.00 0.00 +0.127 C ATOM 12 N LIG 1 2.514 0.164 -1.049 0.00 0.00 -0.294 N ATOM 13 C LIG 1 1.158 0.361 -1.285 0.00 0.00 +0.249 C ATOM 14 O LIG 1 0.637 0.258 -2.393 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 3.373 -0.158 -2.195 0.00 0.00 +0.127 C ATOM 16 C LIG 1 4.575 -1.032 -1.815 0.00 0.00 +0.126 C ATOM 17 O LIG 1 7.267 -1.497 -1.475 0.00 0.00 -0.276 OA BRANCH 8 19 ATOM 18 C LIG 1 9.017 -0.286 0.301 0.00 0.00 +0.013 C ATOM 19 C LIG 1 7.521 -0.050 0.430 0.00 0.00 +0.092 C ENDBRANCH 8 19 ENDBRANCH 1 13 BRANCH 6 20 ATOM 20 C LIG 1 -2.670 -1.049 1.598 0.00 0.00 +0.092 C BRANCH 20 21 ATOM 21 C LIG 1 -4.086 -0.484 1.677 0.00 0.00 +0.069 A ATOM 22 C LIG 1 -4.907 -0.364 0.432 0.00 0.00 -0.016 A ATOM 23 C LIG 1 -4.348 -0.763 -0.906 0.00 0.00 +0.037 C ATOM 24 C LIG 1 -5.201 -0.294 -2.089 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -6.684 -0.507 -1.819 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -7.126 0.250 -0.565 0.00 0.00 +0.041 C ATOM 27 C LIG 1 -6.156 0.111 0.576 0.00 0.00 +0.023 A ATOM 28 C LIG 1 -6.647 0.521 1.915 0.00 0.00 +0.268 A ATOM 29 O LIG 1 -7.775 0.975 2.081 0.00 0.00 -0.266 OA ATOM 30 N LIG 1 -5.766 0.364 2.950 0.00 0.00 -0.243 N ATOM 31 H LIG 1 -6.086 0.633 3.874 0.00 0.00 +0.192 HD ATOM 32 N LIG 1 -4.505 -0.134 2.858 0.00 0.00 -0.175 NA ENDBRANCH 20 21 ENDBRANCH 6 20 TORSDOF 4