REMARK Name = BDB033480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 S LIG 1 -0.202 2.632 1.710 0.00 0.00 +0.091 S ATOM 2 O LIG 1 -0.049 1.961 2.983 0.00 0.00 -0.148 OA ATOM 3 O LIG 1 -0.830 3.932 1.596 0.00 0.00 -0.148 OA ENDROOT BRANCH 1 7 ATOM 4 C LIG 1 -2.157 0.683 -0.962 0.00 0.00 +0.112 A ATOM 5 N LIG 1 -2.792 0.179 0.154 0.00 0.00 -0.322 N ATOM 6 C LIG 1 -2.241 0.768 1.260 0.00 0.00 +0.137 A ATOM 7 C LIG 1 -1.258 1.601 0.774 0.00 0.00 +0.215 A ATOM 8 N LIG 1 -1.198 1.524 -0.613 0.00 0.00 -0.213 NA BRANCH 4 10 ATOM 9 C LIG 1 -3.486 1.307 -2.973 0.00 0.00 +0.012 C ATOM 10 C LIG 1 -2.501 0.318 -2.371 0.00 0.00 +0.071 C ENDBRANCH 4 10 BRANCH 5 11 ATOM 11 C LIG 1 -3.893 -0.772 0.189 0.00 0.00 +0.243 C BRANCH 11 12 ATOM 12 C LIG 1 -3.432 -2.191 -0.005 0.00 0.00 +0.325 C ATOM 13 O LIG 1 -2.347 -2.578 -0.404 0.00 0.00 -0.249 OA BRANCH 12 14 ATOM 14 O LIG 1 -4.406 -3.083 0.280 0.00 0.00 -0.479 OA ATOM 15 H LIG 1 -3.993 -3.960 0.120 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 1 16 ATOM 16 N LIG 1 1.279 2.710 0.878 0.00 0.00 -0.213 N ATOM 17 H LIG 1 1.089 2.993 -0.083 0.00 0.00 +0.174 HD BRANCH 16 18 ATOM 18 C LIG 1 2.135 1.574 1.000 0.00 0.00 +0.072 A ATOM 19 C LIG 1 2.116 0.505 0.095 0.00 0.00 +0.071 A ATOM 20 C LIG 1 2.958 -0.608 0.225 0.00 0.00 +0.022 A ATOM 21 C LIG 1 2.660 -1.473 -0.876 0.00 0.00 +0.077 A ATOM 22 C LIG 1 1.657 -0.889 -1.619 0.00 0.00 +0.102 A ATOM 23 C LIG 1 3.857 -0.668 1.325 0.00 0.00 -0.040 A ATOM 24 C LIG 1 4.800 -1.819 1.559 0.00 0.00 +0.044 C ATOM 25 C LIG 1 3.841 0.393 2.252 0.00 0.00 +0.006 A ATOM 26 N LIG 1 1.332 0.295 -1.020 0.00 0.00 -0.358 N ATOM 27 H LIG 1 0.568 0.902 -1.301 0.00 0.00 +0.165 HD ATOM 28 C LIG 1 2.993 1.487 2.095 0.00 0.00 +0.027 A BRANCH 21 29 ATOM 29 C LIG 1 3.252 -2.738 -1.183 0.00 0.00 +0.101 C ATOM 30 N LIG 1 3.732 -3.764 -1.436 0.00 0.00 -0.191 NA ENDBRANCH 21 29 ENDBRANCH 16 18 ENDBRANCH 1 16 TORSDOF 8