REMARK Name = BDB035415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.700 -0.732 0.681 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.483 -1.377 1.058 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.683 -2.484 1.522 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.583 -0.443 0.791 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.939 -0.627 0.997 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.802 0.422 0.657 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.269 1.615 0.110 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.886 1.788 -0.091 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.054 0.729 0.262 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.432 0.606 0.163 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.444 -0.987 0.408 0.00 0.00 -0.021 A ATOM 12 C LIG 1 3.122 -0.498 0.349 0.00 0.00 +0.029 A ATOM 13 C LIG 1 2.017 -1.262 0.764 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.267 -2.548 1.251 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.566 -3.058 1.316 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.646 -2.287 0.895 0.00 0.00 +0.006 A BRANCH 11 17 ATOM 17 C LIG 1 5.645 -0.158 -0.063 0.00 0.00 +0.156 C BRANCH 17 20 ATOM 18 C LIG 1 6.513 -1.111 -2.916 0.00 0.00 +0.151 C ATOM 19 N LIG 1 5.764 0.079 -2.616 0.00 0.00 -0.319 N ATOM 20 C LIG 1 5.371 0.539 -1.383 0.00 0.00 +0.155 A ATOM 21 N LIG 1 4.688 1.658 -1.563 0.00 0.00 -0.133 NA ATOM 22 N LIG 1 4.635 1.924 -2.909 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 5.289 0.971 -3.527 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 N LIG 1 6.290 0.765 0.892 0.00 0.00 -0.278 NA ATOM 25 C LIG 1 6.487 0.244 2.258 0.00 0.00 +0.162 C ATOM 26 C LIG 1 6.109 1.644 2.807 0.00 0.00 +0.274 C ATOM 27 F LIG 1 5.296 1.657 3.889 0.00 0.00 -0.203 F ATOM 28 F LIG 1 7.144 2.474 3.085 0.00 0.00 -0.203 F ATOM 29 C LIG 1 5.421 1.833 1.431 0.00 0.00 +0.162 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -1.327 3.053 -0.684 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -0.803 2.850 -1.923 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.245 4.049 -0.818 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -0.319 3.573 0.069 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -5.298 0.274 0.839 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -5.946 0.078 -0.458 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -5.435 -0.643 -0.967 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -7.396 -0.180 -0.337 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -7.651 -1.668 0.032 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -7.670 -2.012 -1.470 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -7.918 -0.519 -1.764 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -8.183 0.897 0.383 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8