REMARK Name = BDB028069 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.228 -1.208 1.642 0.00 0.00 +0.267 C ATOM 2 N LIG 1 0.986 -1.038 1.003 0.00 0.00 -0.280 N ATOM 3 H LIG 1 0.999 -0.248 0.360 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -0.524 -2.069 2.461 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -3.430 0.749 1.353 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -2.999 1.716 0.431 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -1.694 1.702 -0.075 0.00 0.00 +0.046 A ATOM 8 N LIG 1 -0.814 0.752 0.333 0.00 0.00 -0.247 NA ATOM 9 C LIG 1 -1.243 -0.180 1.234 0.00 0.00 +0.126 A ATOM 10 C LIG 1 -2.522 -0.220 1.766 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 -1.184 2.710 -1.087 0.00 0.00 +0.038 C ATOM 12 C LIG 1 -1.639 4.150 -1.080 0.00 0.00 +0.010 C ATOM 13 C LIG 1 -2.066 3.237 -2.194 0.00 0.00 +0.010 C ENDBRANCH 7 11 BRANCH 5 14 ATOM 14 C LIG 1 -4.842 0.772 1.894 0.00 0.00 +0.119 C BRANCH 14 22 ATOM 15 C LIG 1 -7.024 -1.803 -1.751 0.00 0.00 +0.015 C ATOM 16 C LIG 1 -7.203 -0.852 -0.569 0.00 0.00 +0.069 C ATOM 17 C LIG 1 -7.949 0.411 -0.962 0.00 0.00 +0.254 C ATOM 18 F LIG 1 -7.280 1.051 -1.958 0.00 0.00 -0.205 F ATOM 19 F LIG 1 -9.165 0.086 -1.480 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -8.156 1.363 0.205 0.00 0.00 +0.091 C ATOM 21 C LIG 1 -7.188 1.086 1.354 0.00 0.00 +0.090 C ATOM 22 N LIG 1 -5.862 0.767 0.834 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 -5.844 -0.476 0.042 0.00 0.00 +0.093 C ENDBRANCH 14 22 ENDBRANCH 5 14 ENDBRANCH 1 9 BRANCH 2 24 ATOM 24 C LIG 1 2.154 -1.809 1.125 0.00 0.00 +0.034 A ATOM 25 C LIG 1 3.267 -1.413 0.366 0.00 0.00 +0.027 A ATOM 26 C LIG 1 4.498 -2.107 0.393 0.00 0.00 -0.035 A ATOM 27 C LIG 1 4.557 -3.226 1.247 0.00 0.00 +0.004 A ATOM 28 C LIG 1 3.460 -3.632 2.009 0.00 0.00 +0.002 A ATOM 29 C LIG 1 2.261 -2.926 1.947 0.00 0.00 +0.023 A BRANCH 26 30 ATOM 30 C LIG 1 5.794 -1.621 -0.470 0.00 0.00 +0.049 C ATOM 31 C LIG 1 6.560 -2.747 -1.233 0.00 0.00 +0.174 C ATOM 32 O LIG 1 5.964 -2.353 -2.494 0.00 0.00 -0.378 OA ATOM 33 C LIG 1 5.513 -1.109 -1.915 0.00 0.00 +0.174 C BRANCH 30 34 ATOM 34 C LIG 1 6.625 -0.700 0.442 0.00 0.00 +0.092 C BRANCH 34 35 ATOM 35 C LIG 1 7.849 -0.097 -0.154 0.00 0.00 +0.134 A ATOM 36 N LIG 1 7.991 1.213 -0.536 0.00 0.00 -0.320 N ATOM 37 C LIG 1 7.015 2.266 -0.456 0.00 0.00 +0.151 C ATOM 38 C LIG 1 9.262 1.337 -1.005 0.00 0.00 +0.224 A ATOM 39 N LIG 1 9.878 0.184 -0.907 0.00 0.00 -0.138 NA ATOM 40 N LIG 1 8.994 -0.715 -0.361 0.00 0.00 -0.135 NA ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 26 30 ENDBRANCH 2 24 TORSDOF 8