REMARK Name = BDB010284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.255 -0.455 -0.565 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.112 -0.197 -0.516 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.896 -0.397 -1.637 0.00 0.00 +0.185 A ATOM 4 N LIG 1 2.217 -0.206 -1.364 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 2.273 0.154 -0.104 0.00 0.00 +0.199 A ATOM 6 N LIG 1 0.420 -0.762 -2.836 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -0.915 -0.883 -2.837 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.998 0.299 0.414 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -1.755 -0.738 -1.785 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 3.377 0.394 0.645 0.00 0.00 -0.307 N ATOM 11 H LIG 1 3.310 0.177 1.636 0.00 0.00 +0.150 HD BRANCH 10 12 ATOM 12 C LIG 1 4.706 -0.034 0.168 0.00 0.00 +0.119 C ATOM 13 C LIG 1 5.133 0.649 -1.133 0.00 0.00 +0.034 C BRANCH 12 14 ATOM 14 C LIG 1 4.847 -1.550 0.227 0.00 0.00 +0.061 A ATOM 15 N LIG 1 5.168 -2.073 1.446 0.00 0.00 -0.258 NA ATOM 16 C LIG 1 5.281 -3.416 1.541 0.00 0.00 +0.111 A ATOM 17 C LIG 1 5.076 -4.285 0.484 0.00 0.00 +0.020 A ATOM 18 C LIG 1 4.729 -3.745 -0.747 0.00 0.00 +0.003 A ATOM 19 C LIG 1 4.610 -2.364 -0.880 0.00 0.00 +0.025 A ENDBRANCH 12 14 ENDBRANCH 10 12 ENDBRANCH 5 10 BRANCH 7 20 ATOM 20 C LIG 1 -1.573 -1.238 -4.146 0.00 0.00 +0.375 C ATOM 21 O LIG 1 -2.767 -1.384 -4.351 0.00 0.00 -0.242 OA BRANCH 20 22 ATOM 22 O LIG 1 -0.696 -1.396 -5.165 0.00 0.00 -0.475 OA ATOM 23 H LIG 1 -1.261 -1.615 -5.933 0.00 0.00 +0.296 HD ENDBRANCH 20 22 ENDBRANCH 7 20 BRANCH 1 24 ATOM 24 N LIG 1 -2.083 -0.476 0.554 0.00 0.00 -0.307 N BRANCH 24 25 ATOM 25 C LIG 1 -3.458 0.038 0.369 0.00 0.00 +0.075 C ATOM 26 C LIG 1 -3.815 0.874 1.611 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -4.542 -1.024 0.151 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -4.671 -1.677 -1.258 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -6.193 -1.713 -1.022 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -5.992 -0.501 -0.093 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 24 25 BRANCH 24 31 ATOM 31 C LIG 1 -1.832 -1.576 1.500 0.00 0.00 +0.133 C BRANCH 31 33 ATOM 32 C LIG 1 -0.707 -3.698 0.735 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -1.797 -2.923 0.834 0.00 0.00 -0.016 C ENDBRANCH 31 33 ENDBRANCH 24 31 ENDBRANCH 1 24 BRANCH 8 34 ATOM 34 C LIG 1 0.661 1.015 1.633 0.00 0.00 +0.160 C BRANCH 34 35 ATOM 35 C LIG 1 0.701 2.512 1.431 0.00 0.00 -0.028 A ATOM 36 C LIG 1 -0.355 3.171 0.785 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -0.317 4.553 0.587 0.00 0.00 +0.013 A ATOM 38 C LIG 1 0.776 5.308 1.034 0.00 0.00 +0.055 A ATOM 39 C LIG 1 1.839 4.647 1.667 0.00 0.00 +0.013 A ATOM 40 C LIG 1 1.801 3.264 1.865 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 0.830 6.797 0.799 0.00 0.00 +0.417 C ATOM 42 F LIG 1 1.417 7.117 -0.387 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -0.403 7.379 0.775 0.00 0.00 -0.166 F ATOM 44 F LIG 1 1.533 7.464 1.757 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 13