REMARK Name = BDB041064 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.347 -1.005 0.984 0.00 0.00 -0.311 N ATOM 2 C LIG 1 -0.207 -0.419 2.322 0.00 0.00 +0.131 C ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -1.992 -2.756 1.445 0.00 0.00 +0.178 A ATOM 4 C LIG 1 -1.658 -1.541 0.832 0.00 0.00 +0.167 A ATOM 5 N LIG 1 -2.552 -0.855 0.087 0.00 0.00 -0.209 NA ATOM 6 C LIG 1 -3.793 -1.359 -0.031 0.00 0.00 +0.162 A ATOM 7 N LIG 1 -4.204 -2.516 0.514 0.00 0.00 -0.232 NA ATOM 8 C LIG 1 -3.288 -3.183 1.243 0.00 0.00 +0.162 A BRANCH 6 9 ATOM 9 C LIG 1 -4.758 -0.624 -0.866 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -5.039 0.762 -0.720 0.00 0.00 -0.034 A ATOM 11 C LIG 1 -5.941 1.373 -1.619 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -6.584 0.641 -2.617 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -6.339 -0.718 -2.743 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -5.438 -1.339 -1.878 0.00 0.00 +0.012 A BRANCH 10 15 ATOM 15 C LIG 1 -4.403 1.611 0.380 0.00 0.00 +0.014 C ATOM 16 C LIG 1 -5.441 2.392 1.196 0.00 0.00 +0.012 C ATOM 17 C LIG 1 -3.353 2.559 -0.205 0.00 0.00 +0.012 C ENDBRANCH 10 15 ENDBRANCH 6 9 BRANCH 3 19 ATOM 18 C LIG 1 -1.386 -4.678 2.714 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -1.033 -3.418 2.161 0.00 0.00 -0.490 OA ENDBRANCH 3 19 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 C LIG 1 0.001 -0.090 -0.116 0.00 0.00 +0.141 C BRANCH 20 21 ATOM 21 C LIG 1 1.498 0.154 -0.173 0.00 0.00 -0.030 A ATOM 22 C LIG 1 2.005 1.459 -0.226 0.00 0.00 +0.006 A ATOM 23 C LIG 1 3.384 1.680 -0.294 0.00 0.00 +0.012 A ATOM 24 C LIG 1 4.282 0.605 -0.328 0.00 0.00 +0.017 A ATOM 25 C LIG 1 3.776 -0.699 -0.262 0.00 0.00 +0.012 A ATOM 26 C LIG 1 2.397 -0.922 -0.196 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 5.719 0.874 -0.400 0.00 0.00 +0.141 A ATOM 28 N LIG 1 6.603 0.302 -1.291 0.00 0.00 -0.333 N ATOM 29 C LIG 1 6.289 -0.610 -2.365 0.00 0.00 +0.150 C ATOM 30 C LIG 1 7.853 0.801 -1.037 0.00 0.00 +0.119 A ATOM 31 C LIG 1 7.696 1.708 -0.005 0.00 0.00 +0.162 A ATOM 32 N LIG 1 6.358 1.748 0.359 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 8.736 2.558 0.663 0.00 0.00 +0.436 C ATOM 34 F LIG 1 9.965 2.391 0.098 0.00 0.00 -0.164 F ATOM 35 F LIG 1 8.879 2.263 1.982 0.00 0.00 -0.164 F ATOM 36 F LIG 1 8.455 3.886 0.579 0.00 0.00 -0.164 F ENDBRANCH 31 33 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8