REMARK Name = BDB040619 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.670 0.753 1.506 0.00 0.00 -0.026 A ATOM 2 C LIG 1 1.503 1.637 0.811 0.00 0.00 +0.025 A ATOM 3 C LIG 1 2.841 1.311 0.528 0.00 0.00 +0.048 A ATOM 4 CL LIG 1 3.722 2.495 -0.367 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 3.385 0.084 0.939 0.00 0.00 +0.018 A ATOM 6 C LIG 1 2.519 -0.796 1.613 0.00 0.00 +0.129 A ATOM 7 F LIG 1 2.970 -2.001 1.994 0.00 0.00 -0.205 F ATOM 8 C LIG 1 1.192 -0.481 1.894 0.00 0.00 +0.044 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 4.808 -0.408 0.710 0.00 0.00 +0.110 C ATOM 10 C LIG 1 5.901 0.644 0.807 0.00 0.00 +0.227 C ATOM 11 O LIG 1 6.111 1.287 1.834 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 6.648 0.873 -0.324 0.00 0.00 -0.256 N ATOM 13 H LIG 1 7.357 1.588 -0.236 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 6.354 0.498 -1.610 0.00 0.00 +0.219 C ATOM 15 O LIG 1 6.973 0.964 -2.562 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 5.190 -0.445 -1.792 0.00 0.00 +0.097 C ATOM 17 C LIG 1 4.959 -1.277 -0.544 0.00 0.00 +0.027 C ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 C LIG 1 -0.770 1.095 1.780 0.00 0.00 +0.139 C BRANCH 18 20 ATOM 19 C LIG 1 -2.276 -0.603 0.795 0.00 0.00 +0.225 C ATOM 20 N LIG 1 -1.616 0.610 0.717 0.00 0.00 -0.310 N ATOM 21 H LIG 1 -1.648 1.136 -0.148 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -2.209 -1.315 1.796 0.00 0.00 -0.275 OA BRANCH 19 23 ATOM 23 C LIG 1 -3.040 -1.017 -0.482 0.00 0.00 +0.090 C ATOM 24 C LIG 1 -1.991 -1.294 -1.582 0.00 0.00 +0.027 C ATOM 25 C LIG 1 -3.801 -2.336 -0.233 0.00 0.00 +0.027 C BRANCH 23 27 ATOM 26 C LIG 1 -5.111 0.582 -0.111 0.00 0.00 +0.183 A ATOM 27 C LIG 1 -4.008 0.086 -0.856 0.00 0.00 +0.139 A ATOM 28 N LIG 1 -3.870 0.777 -2.000 0.00 0.00 -0.079 NA ATOM 29 O LIG 1 -4.896 1.703 -2.016 0.00 0.00 -0.359 OA ATOM 30 C LIG 1 -5.634 1.584 -0.886 0.00 0.00 +0.276 A BRANCH 26 32 ATOM 31 C LIG 1 -6.650 0.800 1.638 0.00 0.00 +0.277 C ATOM 32 O LIG 1 -5.513 0.136 1.101 0.00 0.00 -0.490 OA ENDBRANCH 26 32 ENDBRANCH 23 27 ENDBRANCH 19 23 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 6