REMARK Name = BDB005703 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.426 -0.294 0.001 0.00 0.00 -0.310 N ATOM 2 C LIG 1 -0.178 -1.645 -0.173 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -1.028 -2.000 -1.220 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -1.029 -3.298 -1.728 0.00 0.00 +0.065 A ATOM 5 CA LIG 1 -0.147 -4.180 -1.131 0.00 0.00 +0.150 A ATOM 6 N LIG 1 0.676 -3.849 -0.103 0.00 0.00 -0.238 NA ATOM 7 N LIG 1 -1.794 -0.940 -1.623 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 0.674 -2.591 0.408 0.00 0.00 +0.099 A ATOM 9 C LIG 1 -1.450 0.062 -0.854 0.00 0.00 +0.200 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 -1.951 1.326 -0.872 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -3.193 1.575 -0.103 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.426 1.025 -0.830 0.00 0.00 +0.139 C ATOM 13 C LIG 1 -5.524 1.281 0.189 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -4.852 1.017 1.545 0.00 0.00 +0.004 C ATOM 15 O LIG 1 -4.617 1.709 -2.067 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 -3.470 1.456 -2.909 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -3.336 0.970 1.284 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -2.137 1.889 -2.248 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 8 19 ATOM 19 C LIG 1 1.560 -2.366 1.536 0.00 0.00 +0.022 A ATOM 20 C LIG 1 1.076 -2.228 2.844 0.00 0.00 +0.033 A ATOM 21 C LIG 1 1.966 -2.018 3.893 0.00 0.00 +0.060 A ATOM 22 CL LIG 1 1.389 -1.819 5.496 0.00 0.00 -0.082 Cl ATOM 23 C LIG 1 3.321 -1.958 3.611 0.00 0.00 +0.130 A ATOM 24 N LIG 1 3.835 -2.102 2.367 0.00 0.00 -0.261 NA ATOM 25 C LIG 1 2.945 -2.325 1.368 0.00 0.00 +0.120 A ENDBRANCH 8 19 BRANCH 5 26 ATOM 26 C LIG 1 -0.047 -5.600 -1.595 0.00 0.00 +0.355 C ATOM 27 O LIG 1 0.690 -6.465 -1.155 0.00 0.00 -0.243 OA BRANCH 26 28 ATOM 28 OXT LIG 1 -0.890 -5.882 -2.611 0.00 0.00 -0.476 OA ATOM 29 HXT LIG 1 -0.708 -6.828 -2.797 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 5 26 BRANCH 1 30 ATOM 30 C LIG 1 0.280 0.627 0.876 0.00 0.00 +0.128 C BRANCH 30 35 ATOM 31 C LIG 1 4.638 1.277 -1.338 0.00 0.00 +0.007 C ATOM 32 C LIG 1 4.073 2.396 -0.458 0.00 0.00 -0.014 C ATOM 33 C LIG 1 3.936 1.951 1.010 0.00 0.00 +0.003 C ATOM 34 C LIG 1 2.493 1.697 1.458 0.00 0.00 +0.005 C ATOM 35 C LIG 1 1.669 1.033 0.353 0.00 0.00 +0.009 C ATOM 36 C LIG 1 1.581 1.948 -0.883 0.00 0.00 +0.005 C ATOM 37 C LIG 1 2.749 2.931 -1.011 0.00 0.00 +0.003 C ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 6