REMARK Name = BDB004404 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -1.018 -0.483 0.619 0.00 0.00 +0.054 A ATOM 2 C UNK A 1 -1.711 0.655 1.109 0.00 0.00 +0.007 A ATOM 3 C UNK A 1 -1.050 1.908 1.035 0.00 0.00 +0.028 A ATOM 4 C UNK A 1 -1.708 3.061 1.515 0.00 0.00 +0.012 A ATOM 5 C UNK A 1 -2.990 2.997 2.058 0.00 0.00 +0.001 A ATOM 6 C UNK A 1 -3.644 1.776 2.133 0.00 0.00 +0.001 A ATOM 7 C UNK A 1 0.241 1.974 0.485 0.00 0.00 +0.155 A ATOM 8 C UNK A 1 0.828 0.796 0.030 0.00 0.00 +0.168 A ATOM 9 C UNK A 1 -3.014 0.621 1.665 0.00 0.00 +0.010 A ATOM 10 N UNK A 1 0.232 -0.422 0.086 0.00 0.00 -0.242 NA ENDROOT BRANCH 8 11 ATOM 11 C UNK A 1 2.198 0.808 -0.571 0.00 0.00 +0.266 C ATOM 12 N UNK A 1 2.665 -0.414 -0.989 0.00 0.00 -0.299 N ATOM 13 H UNK A 1 2.047 -1.222 -0.883 0.00 0.00 +0.150 HD ATOM 14 O UNK A 1 2.838 1.852 -0.675 0.00 0.00 -0.268 OA BRANCH 12 15 ATOM 15 C UNK A 1 3.952 -0.577 -1.623 0.00 0.00 +0.225 C BRANCH 15 16 ATOM 16 C UNK A 1 4.231 -2.038 -1.948 0.00 0.00 +0.322 C ATOM 17 O UNK A 1 3.444 -2.955 -1.757 0.00 0.00 -0.249 OA BRANCH 16 18 ATOM 18 O UNK A 1 5.457 -2.238 -2.490 0.00 0.00 -0.480 OA ATOM 19 H UNK A 1 5.987 -1.425 -2.590 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 8 11 BRANCH 7 20 ATOM 20 O UNK A 1 0.872 3.194 0.417 0.00 0.00 -0.504 OA ATOM 21 H UNK A 1 1.757 3.067 0.006 0.00 0.00 +0.292 HD ENDBRANCH 7 20 BRANCH 1 22 ATOM 22 C UNK A 0 -1.628 -1.873 0.625 0.00 0.00 +0.082 C BRANCH 22 24 ATOM 23 C UNK A 0 -2.331 -3.053 -1.483 0.00 0.00 +0.004 C ATOM 24 C UNK A 0 -2.542 -2.118 -0.547 0.00 0.00 -0.028 C ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 7