REMARK Name = BDB035662 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.763 -0.344 0.606 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -3.246 -0.252 1.925 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -1.862 -0.244 2.186 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.006 -0.339 1.093 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.487 -0.358 1.050 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.790 -0.479 -0.369 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.382 -0.525 -1.134 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.550 -0.612 -2.336 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.510 -0.437 -0.197 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.865 -0.444 -0.469 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.124 -0.553 -0.858 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.218 -0.453 0.022 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.554 -0.527 -0.429 0.00 0.00 -0.035 A ATOM 14 C LIG 1 4.786 -0.712 -1.797 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.717 -0.813 -2.683 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.402 -0.732 -2.216 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.696 -0.393 0.571 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 6.812 0.487 0.073 0.00 0.00 +0.141 A ATOM 19 N LIG 1 6.713 1.838 -0.156 0.00 0.00 -0.320 N ATOM 20 C LIG 1 5.563 2.684 0.017 0.00 0.00 +0.151 C ATOM 21 C LIG 1 7.933 2.238 -0.608 0.00 0.00 +0.224 A ATOM 22 N LIG 1 8.742 1.207 -0.655 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 8.039 0.107 -0.231 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 6.237 -1.746 1.044 0.00 0.00 +0.055 C ATOM 25 C LIG 1 5.288 -2.890 1.436 0.00 0.00 +0.166 C ATOM 26 O LIG 1 6.158 -3.860 0.797 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 6.830 -2.788 0.079 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 -1.320 -0.138 3.585 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -2.279 -0.027 4.543 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.504 0.942 3.739 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.565 -1.218 3.927 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 -5.276 -0.356 0.396 0.00 0.00 +0.084 C BRANCH 32 34 ATOM 33 C LIG 1 -5.380 -2.832 -0.414 0.00 0.00 +0.006 C ATOM 34 C LIG 1 -5.834 -1.789 0.604 0.00 0.00 +0.020 C ENDBRANCH 32 34 BRANCH 32 35 ATOM 35 N LIG 1 -5.688 0.161 -0.912 0.00 0.00 -0.304 NA ATOM 36 H LIG 1 -6.532 -0.314 -1.228 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -5.729 1.614 -1.139 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -4.996 2.520 -0.116 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -6.258 3.415 -0.113 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -7.061 2.177 -0.572 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -5.452 1.919 -2.606 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 32 35 ENDBRANCH 1 32 TORSDOF 9