REMARK Name = BDB025673 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.723 -0.877 -1.023 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -0.422 -0.010 0.053 0.00 0.00 +0.055 A ATOM 3 C LIG 1 0.905 0.239 0.412 0.00 0.00 +0.033 A ATOM 4 C LIG 1 1.970 -0.357 -0.288 0.00 0.00 -0.013 A ATOM 5 C LIG 1 1.658 -1.212 -1.359 0.00 0.00 +0.010 A ATOM 6 C LIG 1 0.332 -1.468 -1.724 0.00 0.00 +0.025 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 -4.275 0.186 -4.209 0.00 0.00 +0.026 C ATOM 8 C LIG 1 -3.972 -0.528 -2.883 0.00 0.00 +0.071 C ATOM 9 N LIG 1 -4.459 -1.946 -2.874 0.00 0.00 -0.297 NA ATOM 10 C LIG 1 -5.919 -2.003 -3.022 0.00 0.00 +0.105 C ATOM 11 C LIG 1 -4.016 -2.629 -1.617 0.00 0.00 +0.071 C ATOM 12 C LIG 1 -4.367 -4.125 -1.610 0.00 0.00 +0.026 C ATOM 13 C LIG 1 -2.479 -2.507 -1.384 0.00 0.00 +0.123 C ATOM 14 N LIG 1 -2.090 -1.081 -1.353 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.437 -0.425 -2.635 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.365 -0.092 0.087 0.00 0.00 +0.019 A ATOM 17 C LIG 1 3.858 1.168 0.359 0.00 0.00 +0.124 A ATOM 18 N LIG 1 5.139 1.436 0.698 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.996 0.408 0.781 0.00 0.00 +0.218 A ATOM 20 N LIG 1 5.617 -0.857 0.535 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 4.325 -1.075 0.201 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 7.316 0.656 1.099 0.00 0.00 -0.295 N ATOM 23 C LIG 1 8.141 -0.503 1.449 0.00 0.00 +0.136 C ATOM 24 C LIG 1 9.551 -0.034 1.836 0.00 0.00 +0.179 C ATOM 25 O LIG 1 9.573 0.860 2.961 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 8.371 1.636 3.096 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.658 1.918 1.763 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.541 0.549 0.707 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.413 0.224 0.291 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.561 1.405 1.777 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.606 1.852 2.397 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.947 1.746 2.208 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.875 2.549 1.419 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -5.102 2.809 1.913 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -5.513 2.287 3.240 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -6.631 2.503 3.687 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.563 1.559 3.912 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -4.834 1.218 4.828 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -3.309 1.297 3.421 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -3.426 3.091 0.098 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -3.316 2.105 -0.828 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -4.306 3.992 -0.414 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.228 3.719 0.167 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6