REMARK Name = BDB041034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.488 1.492 -2.753 0.00 0.00 +0.068 C ATOM 2 C LIG 1 -1.761 0.528 -1.659 0.00 0.00 +0.066 A ATOM 3 C LIG 1 -0.931 0.185 -0.571 0.00 0.00 +0.025 A ATOM 4 C LIG 1 0.436 0.627 -0.188 0.00 0.00 +0.083 C ATOM 5 C LIG 1 1.133 -0.365 0.780 0.00 0.00 +0.171 C ATOM 6 C LIG 1 0.200 -1.344 1.539 0.00 0.00 +0.240 C ATOM 7 N LIG 1 -1.113 -1.486 1.170 0.00 0.00 -0.268 N ATOM 8 H LIG 1 -1.620 -2.243 1.611 0.00 0.00 +0.156 HD ATOM 9 O LIG 1 0.652 -2.101 2.405 0.00 0.00 -0.273 OA ATOM 10 C LIG 1 -1.632 -0.768 0.121 0.00 0.00 +0.133 A ATOM 11 N LIG 1 -2.886 -0.865 -0.469 0.00 0.00 -0.218 N ATOM 12 N LIG 1 -2.911 -0.156 -1.633 0.00 0.00 -0.170 NA ENDROOT BRANCH 4 13 ATOM 13 C LIG 1 0.267 2.017 0.421 0.00 0.00 -0.038 A ATOM 14 C LIG 1 0.982 3.090 -0.135 0.00 0.00 +0.005 A ATOM 15 C LIG 1 0.877 4.377 0.397 0.00 0.00 +0.012 A ATOM 16 C LIG 1 0.052 4.627 1.501 0.00 0.00 +0.055 A ATOM 17 C LIG 1 -0.647 3.556 2.075 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -0.539 2.267 1.544 0.00 0.00 +0.005 A BRANCH 16 19 ATOM 19 C LIG 1 -0.046 6.012 2.089 0.00 0.00 +0.417 C ATOM 20 F LIG 1 0.894 6.236 3.049 0.00 0.00 -0.166 F ATOM 21 F LIG 1 0.119 7.000 1.165 0.00 0.00 -0.166 F ATOM 22 F LIG 1 -1.249 6.258 2.681 0.00 0.00 -0.166 F ENDBRANCH 16 19 ENDBRANCH 4 13 BRANCH 11 23 ATOM 23 C LIG 1 -4.053 -1.557 -0.036 0.00 0.00 +0.067 A ATOM 24 C LIG 1 -5.071 -1.822 -0.968 0.00 0.00 +0.028 A ATOM 25 C LIG 1 -6.227 -2.502 -0.579 0.00 0.00 +0.002 A ATOM 26 C LIG 1 -6.385 -2.907 0.744 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -5.396 -2.620 1.682 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -4.234 -1.941 1.299 0.00 0.00 +0.028 A ENDBRANCH 11 23 BRANCH 5 29 ATOM 29 N LIG 1 2.133 -1.229 0.122 0.00 0.00 -0.299 N ATOM 30 H LIG 1 2.225 -2.161 0.515 0.00 0.00 +0.150 HD ATOM 31 C LIG 1 3.273 -0.686 -0.435 0.00 0.00 +0.245 C ATOM 32 O LIG 1 3.445 0.521 -0.559 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 4.327 -1.648 -0.860 0.00 0.00 +0.037 A ATOM 34 C LIG 1 5.652 -1.198 -0.926 0.00 0.00 +0.013 A ATOM 35 C LIG 1 6.670 -2.068 -1.321 0.00 0.00 +0.001 A ATOM 36 C LIG 1 6.368 -3.386 -1.659 0.00 0.00 +0.000 A ATOM 37 C LIG 1 5.049 -3.837 -1.610 0.00 0.00 +0.001 A ATOM 38 C LIG 1 4.026 -2.970 -1.215 0.00 0.00 +0.013 A ENDBRANCH 31 33 ENDBRANCH 5 29 TORSDOF 5