REMARK Name = BDB063963 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O UNK A 0 1.264 -1.165 -4.110 0.00 0.00 -0.268 OA ATOM 2 C UNK A 0 1.089 -0.675 -3.013 0.00 0.00 +0.269 C ATOM 3 C UNK A 0 2.084 -0.387 -1.944 0.00 0.00 +0.130 C ATOM 4 C UNK A 0 3.378 -0.700 -2.079 0.00 0.00 +0.041 C ATOM 5 N UNK A 0 1.445 0.204 -0.874 0.00 0.00 -0.213 NA ATOM 6 C UNK A 0 0.197 0.261 -1.229 0.00 0.00 +0.188 C ATOM 7 N UNK A 0 -0.069 -0.244 -2.453 0.00 0.00 -0.253 N ATOM 8 H UNK A 0 -0.948 -0.231 -2.937 0.00 0.00 +0.158 HD ENDROOT BRANCH 4 9 ATOM 9 C UNK A 0 4.446 -0.479 -1.090 0.00 0.00 -0.022 A ATOM 10 C UNK A 0 4.470 0.648 -0.254 0.00 0.00 +0.025 A ATOM 11 C UNK A 0 5.541 0.807 0.645 0.00 0.00 +0.039 A ATOM 12 C UNK A 0 6.586 -0.116 0.720 0.00 0.00 +0.078 A ATOM 13 N UNK A 0 7.571 0.173 1.652 0.00 0.00 -0.247 NA ATOM 14 C UNK A 0 7.272 1.294 2.267 0.00 0.00 +0.157 A ATOM 15 C UNK A 0 6.561 -1.234 -0.135 0.00 0.00 +0.029 A ATOM 16 S UNK A 0 5.824 2.069 1.785 0.00 0.00 -0.075 S ATOM 17 C UNK A 0 5.497 -1.400 -1.032 0.00 0.00 +0.010 A ENDBRANCH 4 9 BRANCH 6 18 ATOM 18 N PHE A 1 -0.780 0.795 -0.452 0.00 0.00 -0.311 N ATOM 19 H PHE A 1 -0.396 1.059 0.459 0.00 0.00 +0.149 HD BRANCH 18 20 ATOM 20 CA PHE A 1 -2.094 0.159 -0.267 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 CB PHE A 1 -3.101 1.254 0.143 0.00 0.00 +0.059 C BRANCH 21 22 ATOM 22 CG PHE A 1 -4.529 0.765 0.186 0.00 0.00 -0.046 A ATOM 23 CD2 PHE A 1 -5.137 0.458 1.411 0.00 0.00 +0.004 A ATOM 24 CE2 PHE A 1 -6.450 -0.012 1.451 0.00 0.00 +0.000 A ATOM 25 CZ PHE A 1 -7.168 -0.178 0.268 0.00 0.00 +0.000 A ATOM 26 CE1 PHE A 1 -6.574 0.128 -0.955 0.00 0.00 +0.000 A ATOM 27 CD1 PHE A 1 -5.261 0.598 -0.997 0.00 0.00 +0.004 A ENDBRANCH 21 22 ENDBRANCH 20 21 BRANCH 20 28 ATOM 28 C PHE A 1 -1.956 -0.953 0.796 0.00 0.00 +0.178 C BRANCH 28 29 ATOM 29 O PHE A 1 -1.521 -0.400 2.039 0.00 0.00 -0.393 OA ATOM 30 H PHE A 1 -1.330 -1.149 2.630 0.00 0.00 +0.209 HD ENDBRANCH 28 29 ENDBRANCH 20 28 ENDBRANCH 18 20 ENDBRANCH 6 18 TORSDOF 7