REMARK Name = BDB060307 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.411 0.871 -1.159 0.00 0.00 +0.281 C ATOM 2 N LIG 1 0.676 0.475 -0.357 0.00 0.00 -0.163 N ATOM 3 C LIG 1 0.725 0.087 0.978 0.00 0.00 +0.219 A ATOM 4 N LIG 1 1.940 -0.290 1.278 0.00 0.00 -0.192 NA ATOM 5 C LIG 1 2.667 -0.060 0.130 0.00 0.00 +0.202 A ATOM 6 N LIG 1 1.935 0.440 -0.879 0.00 0.00 -0.139 NA ATOM 7 O LIG 1 -0.176 1.404 -2.245 0.00 0.00 -0.265 OA ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -4.548 0.433 -0.150 0.00 0.00 +0.120 A ATOM 9 C LIG 1 -4.048 1.655 -0.613 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -2.698 1.793 -0.943 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -1.834 0.706 -0.792 0.00 0.00 +0.042 A ATOM 12 C LIG 1 -2.331 -0.526 -0.356 0.00 0.00 +0.017 A ATOM 13 C LIG 1 -3.685 -0.658 -0.028 0.00 0.00 +0.046 A BRANCH 8 15 ATOM 14 C LIG 1 -6.456 -0.790 0.571 0.00 0.00 +0.277 C ATOM 15 O LIG 1 -5.884 0.438 0.140 0.00 0.00 -0.495 OA ENDBRANCH 8 15 ENDBRANCH 1 11 BRANCH 5 16 ATOM 16 C LIG 1 4.111 -0.327 0.038 0.00 0.00 +0.110 A ATOM 17 N LIG 1 4.719 -0.837 1.143 0.00 0.00 -0.252 NA ATOM 18 C LIG 1 6.044 -1.085 1.065 0.00 0.00 +0.111 A ATOM 19 C LIG 1 6.808 -0.852 -0.066 0.00 0.00 +0.020 A ATOM 20 C LIG 1 6.177 -0.332 -1.188 0.00 0.00 +0.004 A ATOM 21 C LIG 1 4.810 -0.065 -1.140 0.00 0.00 +0.031 A ENDBRANCH 5 16 BRANCH 3 22 ATOM 22 N LIG 1 -0.299 0.116 1.859 0.00 0.00 -0.327 N ATOM 23 H LIG 1 -0.977 0.873 1.818 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 -0.001 -0.043 2.821 0.00 0.00 +0.145 HD ENDBRANCH 3 22 TORSDOF 4