REMARK Name = BDB020153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.223 -1.397 -1.186 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -2.491 -0.040 -1.423 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -1.494 0.938 -1.277 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -0.204 0.528 -0.898 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.087 -0.825 -0.677 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -0.927 -1.780 -0.816 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.800 2.361 -1.490 0.00 0.00 +0.024 A ATOM 8 C LIG 1 -1.674 3.321 -0.464 0.00 0.00 +0.137 A ATOM 9 C LIG 1 -1.918 4.675 -0.698 0.00 0.00 +0.084 A ATOM 10 C LIG 1 -2.328 5.078 -1.961 0.00 0.00 +0.127 A ATOM 11 F LIG 1 -2.574 6.374 -2.191 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -2.490 4.157 -2.989 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -2.226 2.806 -2.755 0.00 0.00 +0.015 A BRANCH 8 14 ATOM 14 O LIG 1 -1.259 2.965 0.793 0.00 0.00 -0.434 OA BRANCH 14 15 ATOM 15 C LIG 1 -2.361 2.515 1.572 0.00 0.00 +0.541 C ATOM 16 F LIG 1 -2.119 1.230 1.938 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -2.372 3.247 2.715 0.00 0.00 -0.166 F ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 5 18 ATOM 18 C LIG 1 1.434 -1.290 -0.241 0.00 0.00 +0.245 C ATOM 19 N LIG 1 2.499 -0.469 -0.540 0.00 0.00 -0.304 N ATOM 20 H LIG 1 2.381 0.294 -1.188 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 1.553 -2.369 0.330 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 3.851 -0.824 -0.158 0.00 0.00 +0.107 C BRANCH 22 23 ATOM 23 C LIG 1 4.127 -0.542 1.311 0.00 0.00 -0.025 A ATOM 24 C LIG 1 4.903 -1.446 2.056 0.00 0.00 +0.027 A ATOM 25 C LIG 1 5.186 -1.208 3.405 0.00 0.00 +0.060 A ATOM 26 CL LIG 1 6.152 -2.373 4.240 0.00 0.00 -0.082 Cl ATOM 27 C LIG 1 4.694 -0.056 4.028 0.00 0.00 +0.059 A ATOM 28 CL LIG 1 5.000 0.305 5.689 0.00 0.00 -0.082 Cl ATOM 29 C LIG 1 3.928 0.855 3.297 0.00 0.00 +0.022 A ATOM 30 C LIG 1 3.649 0.616 1.949 0.00 0.00 +0.007 A ENDBRANCH 22 23 BRANCH 22 31 ATOM 31 C LIG 1 4.816 -0.036 -1.008 0.00 0.00 +0.014 C ATOM 32 C LIG 1 6.149 -0.623 -1.407 0.00 0.00 +0.006 C ATOM 33 C LIG 1 5.071 -0.444 -2.439 0.00 0.00 +0.006 C ENDBRANCH 22 31 ENDBRANCH 19 22 ENDBRANCH 5 18 BRANCH 1 34 ATOM 34 C LIG 1 -3.338 -2.415 -1.270 0.00 0.00 +0.144 C BRANCH 34 38 ATOM 35 N LIG 1 -6.240 -2.975 -1.260 0.00 0.00 -0.253 NA ATOM 36 H LIG 1 -7.143 -3.306 -0.901 0.00 0.00 +0.191 HD ATOM 37 C LIG 1 -5.526 -2.723 -0.229 0.00 0.00 +0.278 C ATOM 38 N LIG 1 -4.246 -2.265 -0.148 0.00 0.00 -0.278 N ATOM 39 C LIG 1 -3.757 -2.462 1.198 0.00 0.00 +0.151 C ATOM 40 C LIG 1 -5.067 -2.519 1.967 0.00 0.00 +0.251 C ATOM 41 O LIG 1 -6.050 -2.942 1.006 0.00 0.00 -0.464 OA ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 9