REMARK Name = BDB000670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.752 -1.945 1.855 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -1.451 -0.984 0.925 0.00 0.00 -0.039 A ATOM 3 C LIG 1 -0.742 -0.134 0.070 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.484 0.730 -0.770 0.00 0.00 +0.133 A ATOM 5 C LIG 1 -2.918 0.797 -0.782 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -3.626 -0.101 0.081 0.00 0.00 -0.006 A ATOM 7 C LIG 1 -5.065 -0.129 0.090 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -5.748 0.670 -0.834 0.00 0.00 +0.163 A ATOM 9 C LIG 1 -5.082 1.556 -1.668 0.00 0.00 +0.170 A ATOM 10 C LIG 1 -3.691 1.667 -1.616 0.00 0.00 +0.070 A ATOM 11 C LIG 1 -2.855 -0.963 0.901 0.00 0.00 +0.013 A ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 0.740 -0.144 0.056 0.00 0.00 +0.031 A ATOM 13 C LIG 1 1.494 0.666 0.937 0.00 0.00 +0.133 A ATOM 14 C LIG 1 2.927 0.695 0.966 0.00 0.00 +0.038 A ATOM 15 C LIG 1 3.621 -0.058 -0.035 0.00 0.00 -0.006 A ATOM 16 C LIG 1 5.053 0.024 -0.153 0.00 0.00 +0.008 A ATOM 17 C LIG 1 5.754 0.791 0.786 0.00 0.00 +0.163 A ATOM 18 C LIG 1 5.104 1.489 1.793 0.00 0.00 +0.170 A ATOM 19 C LIG 1 2.841 -0.880 -0.887 0.00 0.00 +0.013 A ATOM 20 C LIG 1 3.712 1.436 1.907 0.00 0.00 +0.070 A ATOM 21 C LIG 1 1.438 -0.949 -0.851 0.00 0.00 -0.039 A ATOM 22 C LIG 1 0.730 -1.858 -1.825 0.00 0.00 +0.044 C BRANCH 16 23 ATOM 23 C LIG 1 5.832 -0.700 -1.262 0.00 0.00 +0.017 C ATOM 24 C LIG 1 6.553 -1.935 -0.718 0.00 0.00 +0.012 C ATOM 25 C LIG 1 6.789 0.201 -2.057 0.00 0.00 +0.012 C ENDBRANCH 16 23 BRANCH 13 26 ATOM 26 O LIG 1 0.821 1.522 1.783 0.00 0.00 -0.506 OA ATOM 27 H LIG 1 -0.141 1.460 1.648 0.00 0.00 +0.292 HD ENDBRANCH 13 26 BRANCH 18 28 ATOM 28 O LIG 1 5.924 2.194 2.647 0.00 0.00 -0.503 OA ATOM 29 H LIG 1 5.347 2.730 3.241 0.00 0.00 +0.292 HD ENDBRANCH 18 28 BRANCH 17 30 ATOM 30 O LIG 1 7.123 0.857 0.769 0.00 0.00 -0.503 OA ATOM 31 H LIG 1 7.356 1.440 1.522 0.00 0.00 +0.292 HD ENDBRANCH 17 30 BRANCH 20 32 ATOM 32 C LIG 1 3.128 2.096 3.100 0.00 0.00 +0.263 C ATOM 33 O LIG 1 3.745 2.980 3.693 0.00 0.00 -0.296 OA ENDBRANCH 20 32 ENDBRANCH 3 12 BRANCH 7 34 ATOM 34 C LIG 1 -5.862 -1.027 1.048 0.00 0.00 +0.017 C ATOM 35 C LIG 1 -6.348 -2.292 0.337 0.00 0.00 +0.012 C ATOM 36 C LIG 1 -7.017 -0.325 1.780 0.00 0.00 +0.012 C ENDBRANCH 7 34 BRANCH 4 37 ATOM 37 O LIG 1 -0.798 1.530 -1.658 0.00 0.00 -0.506 OA ATOM 38 H LIG 1 0.153 1.321 -1.653 0.00 0.00 +0.292 HD ENDBRANCH 4 37 BRANCH 9 39 ATOM 39 O LIG 1 -5.888 2.298 -2.504 0.00 0.00 -0.503 OA ATOM 40 H LIG 1 -5.300 2.811 -3.108 0.00 0.00 +0.292 HD ENDBRANCH 9 39 BRANCH 8 41 ATOM 41 O LIG 1 -7.111 0.603 -0.959 0.00 0.00 -0.503 OA ATOM 42 H LIG 1 -7.332 1.256 -1.656 0.00 0.00 +0.292 HD ENDBRANCH 8 41 BRANCH 10 43 ATOM 43 C LIG 1 -3.092 2.757 -2.424 0.00 0.00 +0.263 C ATOM 44 O LIG 1 -3.695 3.225 -3.390 0.00 0.00 -0.296 OA ENDBRANCH 10 43 TORSDOF 11