REMARK Name = BDB009440 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.249 0.175 -2.128 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.579 -1.169 -2.264 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.819 -1.603 -2.001 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.384 -2.086 -2.671 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.684 -1.653 -2.947 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.031 -0.298 -2.817 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.040 0.621 -2.436 0.00 0.00 +0.020 A ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -0.217 0.895 1.177 0.00 0.00 +0.029 C ATOM 9 C LIG 1 1.148 0.387 0.710 0.00 0.00 +0.091 C ATOM 10 N LIG 1 1.679 1.216 -0.406 0.00 0.00 -0.292 N ATOM 11 C LIG 1 1.274 1.150 -1.736 0.00 0.00 +0.250 C ATOM 12 O LIG 1 1.717 1.877 -2.622 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 2.850 2.035 -0.083 0.00 0.00 +0.127 C ATOM 14 C LIG 1 3.981 1.148 0.465 0.00 0.00 +0.127 C ATOM 15 N LIG 1 3.509 0.191 1.484 0.00 0.00 -0.294 N ATOM 16 C LIG 1 4.149 -1.014 1.762 0.00 0.00 +0.247 C ATOM 17 O LIG 1 3.610 -1.949 2.349 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 2.122 0.363 1.919 0.00 0.00 +0.130 C BRANCH 16 19 ATOM 19 C LIG 1 5.551 -1.189 1.322 0.00 0.00 +0.037 A ATOM 20 C LIG 1 5.872 -2.285 0.517 0.00 0.00 +0.013 A ATOM 21 C LIG 1 7.190 -2.476 0.102 0.00 0.00 +0.001 A ATOM 22 C LIG 1 8.184 -1.582 0.504 0.00 0.00 +0.000 A ATOM 23 C LIG 1 7.867 -0.500 1.328 0.00 0.00 +0.001 A ATOM 24 C LIG 1 6.549 -0.305 1.745 0.00 0.00 +0.013 A ENDBRANCH 16 19 ENDBRANCH 1 11 BRANCH 6 25 ATOM 25 C LIG 1 -3.438 0.165 -3.126 0.00 0.00 +0.092 C BRANCH 25 26 ATOM 26 C LIG 1 -4.047 1.023 -2.019 0.00 0.00 +0.069 A ATOM 27 C LIG 1 -4.697 0.364 -0.843 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -4.765 -1.133 -0.733 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -5.181 -1.626 0.656 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -6.329 -0.796 1.216 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -5.940 0.680 1.315 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -5.214 1.177 0.095 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -5.099 2.651 -0.050 0.00 0.00 +0.268 A ATOM 34 O LIG 1 -5.534 3.420 0.801 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -4.478 3.093 -1.186 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -4.391 4.096 -1.306 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -3.954 2.312 -2.166 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4