REMARK Name = LIG000280 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.723 -3.311 -0.883 0.00 0.00 +0.068 A ATOM 2 C LIG 1 -1.542 -3.794 -1.465 0.00 0.00 +0.042 A ATOM 3 C LIG 1 -0.279 -3.454 -0.936 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -0.203 -2.640 0.210 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -1.396 -2.196 0.804 0.00 0.00 +0.026 A ATOM 6 C LIG 1 -2.644 -2.535 0.274 0.00 0.00 +0.030 A ENDROOT BRANCH 1 17 ATOM 7 C LIG 1 -5.512 0.623 -0.539 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -4.943 -0.614 -0.902 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -5.722 -1.771 -0.994 0.00 0.00 +0.027 A ATOM 10 C LIG 1 -7.122 -1.667 -0.831 0.00 0.00 +0.051 A ATOM 11 N LIG 1 -7.963 -2.777 -1.087 0.00 0.00 -0.320 N ATOM 12 H LIG 1 -8.966 -2.686 -1.004 0.00 0.00 +0.169 HD ATOM 13 C LIG 1 -7.524 -4.002 -1.576 0.00 0.00 +0.279 A ATOM 14 C LIG 1 -6.084 -4.121 -1.703 0.00 0.00 +0.178 A ATOM 15 N LIG 1 -5.377 -5.175 -2.189 0.00 0.00 -0.124 NA ATOM 16 N LIG 1 -4.090 -4.855 -2.117 0.00 0.00 -0.059 NA ATOM 17 N LIG 1 -3.976 -3.679 -1.439 0.00 0.00 -0.211 N ATOM 18 O LIG 1 -8.322 -4.892 -1.852 0.00 0.00 -0.265 OA ATOM 19 C LIG 1 -7.703 -0.454 -0.468 0.00 0.00 +0.027 A ATOM 20 C LIG 1 -5.226 -3.095 -1.349 0.00 0.00 +0.109 A ATOM 21 C LIG 1 -6.898 0.677 -0.310 0.00 0.00 +0.010 A BRANCH 7 25 ATOM 22 C LIG 1 -3.047 4.046 -0.201 0.00 0.00 +0.214 A ATOM 23 N LIG 1 -2.954 3.296 -1.317 0.00 0.00 -0.221 NA ATOM 24 C LIG 1 -3.768 2.215 -1.390 0.00 0.00 +0.123 A ATOM 25 C LIG 1 -4.673 1.824 -0.401 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.727 2.636 0.739 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -3.908 3.759 0.843 0.00 0.00 +0.068 A BRANCH 22 29 ATOM 28 C LIG 1 -1.422 5.415 -1.177 0.00 0.00 +0.279 C ATOM 29 O LIG 1 -2.251 5.162 -0.048 0.00 0.00 -0.480 OA ENDBRANCH 22 29 ENDBRANCH 7 25 ENDBRANCH 1 17 BRANCH 4 30 ATOM 30 N LIG 1 1.056 -2.293 0.725 0.00 0.00 -0.326 N ATOM 31 C LIG 1 1.276 -2.708 2.130 0.00 0.00 +0.124 C ATOM 32 C LIG 1 2.747 -2.479 2.518 0.00 0.00 +0.127 C ATOM 33 N LIG 1 3.206 -1.112 2.232 0.00 0.00 -0.295 N ATOM 34 C LIG 1 4.234 -0.614 3.013 0.00 0.00 +0.240 C ATOM 35 O LIG 1 4.621 -1.130 4.057 0.00 0.00 -0.271 OA ATOM 36 C LIG 1 2.864 -0.607 0.890 0.00 0.00 +0.127 C ATOM 37 C LIG 1 1.393 -0.866 0.513 0.00 0.00 +0.124 C BRANCH 34 38 ATOM 38 C LIG 1 4.877 0.636 2.557 0.00 0.00 +0.068 C ATOM 39 C LIG 1 5.889 0.559 1.679 0.00 0.00 +0.013 C BRANCH 39 40 ATOM 40 C LIG 1 6.606 1.731 1.166 0.00 0.00 -0.025 A ATOM 41 C LIG 1 6.951 2.812 1.986 0.00 0.00 +0.008 A ATOM 42 C LIG 1 7.665 3.896 1.469 0.00 0.00 +0.013 A ATOM 43 C LIG 1 8.060 3.917 0.124 0.00 0.00 +0.055 A ATOM 44 C LIG 1 7.712 2.835 -0.697 0.00 0.00 +0.013 A ATOM 45 C LIG 1 7.002 1.748 -0.177 0.00 0.00 +0.008 A BRANCH 43 46 ATOM 46 C LIG 1 8.818 5.099 -0.432 0.00 0.00 +0.417 C ATOM 47 F LIG 1 9.709 5.623 0.455 0.00 0.00 -0.166 F ATOM 48 F LIG 1 9.539 4.800 -1.548 0.00 0.00 -0.166 F ATOM 49 F LIG 1 7.994 6.124 -0.782 0.00 0.00 -0.166 F ENDBRANCH 43 46 ENDBRANCH 39 40 ENDBRANCH 34 38 ENDBRANCH 4 30 BRANCH 3 50 ATOM 50 C LIG 1 0.978 -3.970 -1.599 0.00 0.00 +0.419 C ATOM 51 F LIG 1 1.721 -4.785 -0.797 0.00 0.00 -0.166 F ATOM 52 F LIG 1 0.721 -4.711 -2.719 0.00 0.00 -0.166 F ATOM 53 F LIG 1 1.814 -2.978 -2.023 0.00 0.00 -0.166 F ENDBRANCH 3 50 TORSDOF 8