REMARK Name = BDB035800 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.279 -0.374 0.691 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.148 -0.407 1.515 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.030 -0.631 2.706 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.009 -0.093 0.668 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.343 -0.011 1.025 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.280 0.317 0.030 0.00 0.00 -0.029 A ATOM 7 C LIG 1 -2.823 0.537 -1.296 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -1.460 0.445 -1.643 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.563 0.127 -0.629 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.921 -0.040 -0.682 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 5.021 -0.771 0.508 0.00 0.00 -0.035 A ATOM 12 C LIG 1 3.671 -0.536 0.155 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.621 -0.627 1.085 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.953 -0.973 2.398 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.278 -1.215 2.769 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.306 -1.114 1.834 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 6.081 -0.615 -0.581 0.00 0.00 +0.094 C BRANCH 17 20 ATOM 18 C LIG 1 6.458 2.068 1.132 0.00 0.00 +0.151 C ATOM 19 N LIG 1 6.404 1.935 -0.299 0.00 0.00 -0.320 N ATOM 20 C LIG 1 6.240 0.803 -1.060 0.00 0.00 +0.141 A ATOM 21 N LIG 1 6.252 1.157 -2.332 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 6.418 2.516 -2.405 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 6.506 2.970 -1.179 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 7.439 -1.205 -0.219 0.00 0.00 +0.055 C ATOM 25 C LIG 1 7.531 -2.738 -0.118 0.00 0.00 +0.166 C ATOM 26 O LIG 1 8.716 -2.748 -0.951 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 8.424 -1.396 -1.389 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -0.985 0.687 -3.050 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -0.157 1.764 -3.132 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -1.991 0.916 -3.937 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.278 -0.365 -3.544 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 -4.763 0.406 0.399 0.00 0.00 +0.087 C BRANCH 32 33 ATOM 33 C LIG 1 -5.304 1.762 0.010 0.00 0.00 +0.010 C ATOM 34 C LIG 1 -6.238 2.520 0.926 0.00 0.00 +0.006 C ATOM 35 C LIG 1 -4.834 3.008 0.730 0.00 0.00 +0.006 C ENDBRANCH 32 33 BRANCH 32 36 ATOM 36 N LIG 1 -5.486 -0.683 -0.262 0.00 0.00 -0.304 NA ATOM 37 H LIG 1 -5.456 -0.550 -1.269 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 -6.816 -0.993 0.286 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -7.902 -0.095 -0.370 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -8.713 -1.377 -0.652 0.00 0.00 +0.004 C ATOM 41 C LIG 1 -7.384 -2.157 -0.589 0.00 0.00 +0.022 C ATOM 42 C LIG 1 -6.874 -1.264 1.779 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 32 36 ENDBRANCH 6 32 TORSDOF 9