REMARK Name = BDB061287 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.091 2.284 -0.917 0.00 0.00 +0.051 A ATOM 2 C LIG 1 2.274 1.645 -1.336 0.00 0.00 +0.151 A ATOM 3 C LIG 1 2.822 1.922 -2.592 0.00 0.00 +0.106 A ATOM 4 C LIG 1 4.059 1.238 -2.988 0.00 0.00 +0.197 A ATOM 5 C LIG 1 4.658 0.314 -2.018 0.00 0.00 +0.098 A ATOM 6 C LIG 1 4.047 0.136 -0.840 0.00 0.00 +0.139 A ATOM 7 O LIG 1 4.575 1.437 -4.083 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 2.201 2.839 -3.444 0.00 0.00 +0.135 A ATOM 9 C LIG 1 1.039 3.488 -3.046 0.00 0.00 +0.092 A ATOM 10 O LIG 1 2.863 0.750 -0.470 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 0.495 3.211 -1.791 0.00 0.00 +0.128 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 4.599 -0.776 0.178 0.00 0.00 +0.018 A ATOM 13 C LIG 1 5.947 -0.705 0.565 0.00 0.00 +0.015 A ATOM 14 C LIG 1 6.457 -1.568 1.540 0.00 0.00 +0.046 A ATOM 15 C LIG 1 5.617 -2.504 2.132 0.00 0.00 +0.117 A ATOM 16 C LIG 1 4.279 -2.587 1.768 0.00 0.00 +0.046 A ATOM 17 C LIG 1 3.770 -1.724 0.795 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 6.070 -3.365 3.086 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 7.014 -3.193 3.239 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 8 20 ATOM 20 O LIG 1 2.686 3.156 -4.685 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 3.502 2.627 -4.840 0.00 0.00 +0.292 HD ENDBRANCH 8 20 BRANCH 11 22 ATOM 22 O LIG 1 -0.634 3.872 -1.391 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 -1.012 4.343 -2.151 0.00 0.00 +0.292 HD ENDBRANCH 11 22 BRANCH 1 24 ATOM 24 C LIG 1 0.459 1.977 0.427 0.00 0.00 +0.127 C BRANCH 24 28 ATOM 25 C LIG 1 -2.784 -0.792 0.375 0.00 0.00 +0.063 C ATOM 26 C LIG 1 -1.355 -1.349 0.377 0.00 0.00 +0.027 C ATOM 27 C LIG 1 -0.336 -0.289 -0.058 0.00 0.00 +0.085 C ATOM 28 N LIG 1 -0.705 1.079 0.332 0.00 0.00 -0.298 NA ATOM 29 C LIG 1 -1.502 1.095 1.555 0.00 0.00 +0.085 C ATOM 30 C LIG 1 -2.865 0.446 1.285 0.00 0.00 +0.027 C BRANCH 25 32 ATOM 31 O LIG 1 -3.410 -2.958 1.242 0.00 0.00 -0.292 OA ATOM 32 C LIG 1 -3.781 -1.862 0.817 0.00 0.00 +0.169 C BRANCH 32 33 ATOM 33 C LIG 1 -5.249 -1.599 0.775 0.00 0.00 +0.056 A ATOM 34 C LIG 1 -5.836 -0.632 -0.038 0.00 0.00 +0.169 A ATOM 35 F LIG 1 -5.106 0.126 -0.867 0.00 0.00 -0.202 F ATOM 36 C LIG 1 -7.216 -0.446 -0.018 0.00 0.00 +0.159 A ATOM 37 F LIG 1 -7.775 0.488 -0.801 0.00 0.00 -0.202 F ATOM 38 C LIG 1 -8.034 -1.217 0.801 0.00 0.00 +0.041 A ATOM 39 C LIG 1 -7.463 -2.195 1.611 0.00 0.00 +0.004 A ATOM 40 C LIG 1 -6.079 -2.387 1.596 0.00 0.00 +0.014 A ENDBRANCH 32 33 ENDBRANCH 25 32 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 8