REMARK Name = BDB011496 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.004 -1.171 -0.138 0.00 0.00 +0.170 C ATOM 2 C LIG 1 1.165 0.011 0.831 0.00 0.00 +0.241 C ATOM 3 O LIG 1 2.203 0.146 1.488 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.110 0.927 0.885 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.207 0.672 0.367 0.00 0.00 +0.052 A ATOM 6 C LIG 1 -1.861 -0.581 0.506 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -3.163 -0.775 -0.031 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -3.784 0.270 -0.715 0.00 0.00 +0.024 A ATOM 9 C LIG 1 -3.156 1.507 -0.832 0.00 0.00 +0.004 A ATOM 10 S LIG 1 -1.167 -1.905 1.529 0.00 0.00 -0.119 S ATOM 11 C LIG 1 -1.890 1.710 -0.285 0.00 0.00 +0.025 A ATOM 12 C LIG 1 0.308 -2.335 0.552 0.00 0.00 +0.106 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 2.929 -0.929 -1.673 0.00 0.00 +0.230 C ATOM 14 N LIG 1 2.335 -1.565 -0.599 0.00 0.00 -0.302 N ATOM 15 H LIG 1 3.014 -1.865 0.101 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 2.304 -0.213 -2.450 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 4.464 -1.142 -1.748 0.00 0.00 +0.137 C ATOM 18 C LIG 1 4.925 -1.093 -3.203 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 6.233 -2.499 -0.751 0.00 0.00 +0.101 C ATOM 20 N LIG 1 4.816 -2.418 -1.075 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 4.561 -3.193 -1.689 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 7 22 ATOM 22 N LIG 1 -3.785 -2.035 0.159 0.00 0.00 -0.280 N ATOM 23 H LIG 1 -3.239 -2.676 0.726 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 -5.054 -2.432 -0.214 0.00 0.00 +0.248 C ATOM 25 O LIG 1 -5.905 -1.743 -0.762 0.00 0.00 -0.270 OA BRANCH 24 26 ATOM 26 C LIG 1 -5.397 -3.840 0.135 0.00 0.00 +0.037 A ATOM 27 C LIG 1 -6.722 -4.137 0.481 0.00 0.00 +0.013 A ATOM 28 C LIG 1 -7.083 -5.443 0.815 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -6.127 -6.458 0.795 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.810 -6.172 0.433 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -4.443 -4.866 0.099 0.00 0.00 +0.013 A ENDBRANCH 24 26 ENDBRANCH 7 22 BRANCH 4 32 ATOM 32 C LIG 1 0.369 2.211 1.549 0.00 0.00 +0.149 C BRANCH 32 33 ATOM 33 C LIG 1 1.007 3.306 0.698 0.00 0.00 -0.022 A ATOM 34 C LIG 1 1.143 4.628 1.223 0.00 0.00 -0.013 A ATOM 35 C LIG 1 1.730 5.634 0.411 0.00 0.00 -0.018 A ATOM 36 C LIG 1 1.868 6.945 0.897 0.00 0.00 +0.008 A ATOM 37 C LIG 1 1.443 7.285 2.179 0.00 0.00 +0.001 A ATOM 38 C LIG 1 0.874 6.316 2.993 0.00 0.00 +0.001 A ATOM 39 C LIG 1 2.175 5.322 -0.879 0.00 0.00 +0.008 A ATOM 40 C LIG 1 2.056 4.032 -1.381 0.00 0.00 +0.001 A ATOM 41 C LIG 1 0.728 5.008 2.522 0.00 0.00 +0.009 A ATOM 42 C LIG 1 1.481 3.034 -0.600 0.00 0.00 +0.006 A ENDBRANCH 32 33 ENDBRANCH 4 32 TORSDOF 7