REMARK Name = BDB020120 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.375 2.494 -0.277 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -1.043 2.588 0.151 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.368 1.470 0.658 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -1.042 0.246 0.764 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -2.379 0.129 0.351 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -3.030 1.258 -0.170 0.00 0.00 +0.014 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -2.773 2.841 -3.219 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -3.272 3.844 -2.213 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -3.071 3.667 -0.824 0.00 0.00 -0.015 A ATOM 10 C LIG 1 -3.554 4.648 0.065 0.00 0.00 +0.011 A ATOM 11 C LIG 1 -4.233 5.772 -0.404 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -4.434 5.925 -1.767 0.00 0.00 +0.124 A ATOM 13 F LIG 1 -5.089 7.001 -2.222 0.00 0.00 -0.205 F ATOM 14 C LIG 1 -3.964 4.978 -2.670 0.00 0.00 +0.042 A ENDBRANCH 1 9 BRANCH 3 15 ATOM 15 C LIG 1 1.050 1.644 1.087 0.00 0.00 +0.245 C ATOM 16 N LIG 1 1.821 0.512 1.150 0.00 0.00 -0.303 N ATOM 17 H LIG 1 1.494 -0.390 0.824 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 1.482 2.762 1.347 0.00 0.00 -0.270 OA BRANCH 16 19 ATOM 19 C LIG 1 3.221 0.529 1.541 0.00 0.00 +0.125 C BRANCH 19 20 ATOM 20 C LIG 1 3.932 -0.672 0.924 0.00 0.00 +0.062 A ATOM 21 N LIG 1 3.181 -1.787 0.680 0.00 0.00 -0.252 NA ATOM 22 C LIG 1 3.800 -2.866 0.136 0.00 0.00 +0.074 A ATOM 23 C LIG 1 2.967 -4.085 -0.115 0.00 0.00 +0.068 C ATOM 24 C LIG 1 5.152 -2.863 -0.182 0.00 0.00 +0.144 A ATOM 25 F LIG 1 5.734 -3.943 -0.721 0.00 0.00 -0.204 F ATOM 26 C LIG 1 5.908 -1.726 0.061 0.00 0.00 +0.042 A ATOM 27 C LIG 1 5.293 -0.610 0.623 0.00 0.00 +0.028 A ENDBRANCH 19 20 BRANCH 19 28 ATOM 28 C LIG 1 3.293 0.584 3.052 0.00 0.00 +0.015 C ATOM 29 C LIG 1 4.242 -0.218 3.918 0.00 0.00 +0.006 C ATOM 30 C LIG 1 2.775 -0.547 3.915 0.00 0.00 +0.006 C ENDBRANCH 19 28 ENDBRANCH 16 19 ENDBRANCH 3 15 BRANCH 5 31 ATOM 31 C LIG 1 -3.098 -1.200 0.434 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -2.672 -2.090 -0.625 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -1.692 -3.086 -0.513 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -1.034 -3.486 0.515 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -1.331 -2.973 1.343 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -1.559 -3.582 -1.813 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -0.551 -4.539 -2.193 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -2.385 -2.882 -2.676 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -3.067 -1.981 -1.956 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 7