REMARK Name = BDB030780 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.446 -3.654 0.701 0.00 0.00 +0.031 C ATOM 2 C LIG 1 -5.378 -2.415 -0.188 0.00 0.00 +0.105 C ATOM 3 N LIG 1 -4.758 -1.311 0.570 0.00 0.00 -0.337 N ATOM 4 H LIG 1 -4.114 -1.635 1.284 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -4.403 -0.085 -0.010 0.00 0.00 +0.056 A ATOM 6 C LIG 1 -3.025 0.436 0.232 0.00 0.00 +0.022 A ATOM 7 C LIG 1 -2.694 1.749 -0.150 0.00 0.00 +0.054 A ATOM 8 N LIG 1 -3.648 2.543 -0.848 0.00 0.00 -0.310 N ATOM 9 C LIG 1 -4.884 2.034 -1.228 0.00 0.00 +0.267 A ATOM 10 O LIG 1 -5.660 2.646 -1.960 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -3.304 3.891 -1.280 0.00 0.00 +0.152 C ATOM 12 C LIG 1 -1.409 2.242 0.128 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -0.442 1.443 0.744 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.728 0.129 1.095 0.00 0.00 +0.032 A ATOM 15 C LIG 1 -2.015 -0.359 0.821 0.00 0.00 +0.035 A ATOM 16 C LIG 1 -5.248 0.694 -0.719 0.00 0.00 +0.145 A ATOM 17 C LIG 1 -6.640 0.242 -0.886 0.00 0.00 +0.346 C ATOM 18 O LIG 1 -7.626 0.826 -0.465 0.00 0.00 -0.245 OA ATOM 19 O LIG 1 -6.688 -0.926 -1.578 0.00 0.00 -0.459 OA ATOM 20 C LIG 1 -6.783 -2.037 -0.682 0.00 0.00 +0.254 C ENDROOT BRANCH 14 21 ATOM 21 N LIG 1 0.218 -0.748 1.658 0.00 0.00 -0.313 N ATOM 22 H LIG 1 -0.181 -1.347 2.380 0.00 0.00 +0.152 HD BRANCH 21 23 ATOM 23 C LIG 1 1.629 -0.696 1.717 0.00 0.00 +0.056 A ATOM 24 C LIG 1 2.318 -1.228 2.818 0.00 0.00 +0.080 A ATOM 25 CL LIG 1 1.481 -1.973 4.130 0.00 0.00 -0.080 Cl ATOM 26 C LIG 1 3.703 -1.148 2.846 0.00 0.00 +0.136 A ATOM 27 N LIG 1 4.449 -0.588 1.866 0.00 0.00 -0.220 NA ATOM 28 C LIG 1 3.774 -0.094 0.810 0.00 0.00 +0.217 A ATOM 29 C LIG 1 2.391 -0.127 0.693 0.00 0.00 +0.092 A BRANCH 28 30 ATOM 30 O LIG 1 4.457 0.477 -0.245 0.00 0.00 -0.473 OA BRANCH 30 31 ATOM 31 C LIG 1 5.887 0.514 -0.106 0.00 0.00 +0.179 C ATOM 32 C LIG 1 6.485 -0.841 -0.507 0.00 0.00 +0.072 C ATOM 33 C LIG 1 7.868 -0.655 -1.105 0.00 0.00 +0.163 C ATOM 34 O LIG 1 7.854 0.139 -2.292 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 6.793 1.090 -2.375 0.00 0.00 +0.163 C ATOM 36 C LIG 1 6.402 1.641 -1.013 0.00 0.00 +0.072 C ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 21 23 ENDBRANCH 14 21 TORSDOF 4