REMARK Name = BDB007298 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.113 -0.526 1.126 0.00 0.00 -0.246 N ATOM 2 N LIG 1 -1.319 -1.175 1.556 0.00 0.00 -0.283 N ATOM 3 C LIG 1 -2.050 -0.451 2.603 0.00 0.00 +0.171 C ATOM 4 C LIG 1 -0.865 -2.445 1.989 0.00 0.00 +0.071 A ATOM 5 C LIG 1 0.507 -2.648 1.775 0.00 0.00 +0.078 A ATOM 6 C LIG 1 1.145 -3.833 2.125 0.00 0.00 +0.051 A ATOM 7 C LIG 1 0.337 -4.834 2.703 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -1.038 -4.646 2.912 0.00 0.00 +0.003 A ATOM 9 C LIG 1 -1.645 -3.446 2.552 0.00 0.00 +0.028 A ATOM 10 C LIG 1 0.967 -1.407 1.146 0.00 0.00 +0.276 A ATOM 11 O LIG 1 2.080 -1.228 0.682 0.00 0.00 -0.266 OA ENDROOT BRANCH 1 15 ATOM 12 N LIG 1 -0.110 2.455 -1.888 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 0.216 1.085 -2.300 0.00 0.00 +0.087 C ATOM 14 C LIG 1 -0.333 0.070 -1.290 0.00 0.00 +0.042 C ATOM 15 C LIG 1 -0.244 0.570 0.159 0.00 0.00 +0.111 C ATOM 16 C LIG 1 0.866 1.609 0.294 0.00 0.00 +0.042 C ATOM 17 C LIG 1 0.597 2.799 -0.635 0.00 0.00 +0.087 C BRANCH 12 19 ATOM 18 C LIG 1 -0.255 4.885 -2.472 0.00 0.00 +0.024 C ATOM 19 C LIG 1 0.116 3.469 -2.948 0.00 0.00 +0.050 C ATOM 20 C LIG 1 -0.707 3.184 -4.216 0.00 0.00 +0.024 C ENDBRANCH 12 19 ENDBRANCH 1 15 BRANCH 6 21 ATOM 21 C LIG 1 2.589 -4.167 1.972 0.00 0.00 +0.242 C ATOM 22 O LIG 1 3.009 -5.280 2.277 0.00 0.00 -0.270 OA ATOM 23 N LIG 1 3.462 -3.237 1.503 0.00 0.00 -0.325 N ATOM 24 H LIG 1 4.416 -3.529 1.343 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 3.179 -2.345 1.100 0.00 0.00 +0.145 HD ENDBRANCH 6 21 TORSDOF 3