REMARK Name = BDB061336 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.115 0.220 0.383 0.00 0.00 +0.132 A ATOM 2 C LIG 1 2.513 -0.972 1.012 0.00 0.00 +0.098 A ATOM 3 C LIG 1 3.550 -0.936 1.963 0.00 0.00 +0.045 A ATOM 4 C LIG 1 4.211 0.256 2.268 0.00 0.00 +0.087 A ATOM 5 C LIG 1 3.787 1.435 1.654 0.00 0.00 +0.033 A ATOM 6 C LIG 1 2.754 1.419 0.712 0.00 0.00 +0.048 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 1.841 -2.279 0.678 0.00 0.00 +0.421 C ATOM 8 F LIG 1 1.948 -2.618 -0.638 0.00 0.00 -0.166 F ATOM 9 F LIG 1 2.368 -3.338 1.362 0.00 0.00 -0.166 F ATOM 10 F LIG 1 0.510 -2.293 0.969 0.00 0.00 -0.166 F ENDBRANCH 2 7 BRANCH 4 11 ATOM 11 N LIG 1 5.230 0.284 3.238 0.00 0.00 -0.149 NA ATOM 12 N LIG 1 6.428 0.068 2.915 0.00 0.00 -0.149 NA BRANCH 12 13 ATOM 13 C LIG 1 6.773 -0.187 1.573 0.00 0.00 +0.086 A ATOM 14 C LIG 1 6.858 -1.503 1.102 0.00 0.00 +0.029 A ATOM 15 C LIG 1 7.229 -1.761 -0.219 0.00 0.00 +0.002 A ATOM 16 C LIG 1 7.539 -0.704 -1.073 0.00 0.00 +0.000 A ATOM 17 C LIG 1 7.488 0.609 -0.607 0.00 0.00 +0.002 A ATOM 18 C LIG 1 7.115 0.864 0.715 0.00 0.00 +0.029 A ENDBRANCH 12 13 ENDBRANCH 4 11 BRANCH 1 19 ATOM 19 O LIG 1 1.101 0.100 -0.525 0.00 0.00 -0.491 OA BRANCH 19 20 ATOM 20 C LIG 1 0.638 1.284 -1.180 0.00 0.00 +0.233 C BRANCH 20 21 ATOM 21 C LIG 1 -0.519 0.916 -2.114 0.00 0.00 +0.076 C BRANCH 21 25 ATOM 22 C LIG 1 -4.229 0.360 0.018 0.00 0.00 +0.122 A ATOM 23 C LIG 1 -3.977 1.563 -0.633 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -2.781 1.738 -1.333 0.00 0.00 +0.007 A ATOM 25 C LIG 1 -1.821 0.717 -1.373 0.00 0.00 -0.044 A ATOM 26 C LIG 1 -2.072 -0.476 -0.683 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -3.265 -0.647 0.021 0.00 0.00 +0.046 A BRANCH 22 28 ATOM 28 O LIG 1 -5.365 0.153 0.746 0.00 0.00 -0.475 OA BRANCH 28 30 ATOM 29 C LIG 1 -6.375 -1.073 -1.172 0.00 0.00 +0.067 C ATOM 30 C LIG 1 -6.572 -0.087 -0.006 0.00 0.00 +0.200 C ATOM 31 C LIG 1 -7.526 -0.737 1.013 0.00 0.00 +0.067 C BRANCH 30 32 ATOM 32 C LIG 1 -7.271 1.207 -0.467 0.00 0.00 +0.348 C ATOM 33 O LIG 1 -7.078 2.341 -0.055 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 -8.237 1.006 -1.391 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 -8.596 1.904 -1.550 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 22 28 ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11