REMARK Name = BDB010562 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -0.426 1.992 -0.744 0.00 0.00 +0.198 A ATOM 2 N UNK A 0 -0.498 0.609 -0.707 0.00 0.00 -0.309 N ATOM 3 C UNK A 0 -1.673 0.269 -0.071 0.00 0.00 +0.115 A ATOM 4 C UNK A 0 -2.202 1.490 0.322 0.00 0.00 +0.184 A ATOM 5 N UNK A 0 -3.338 1.635 1.021 0.00 0.00 -0.202 NA ATOM 6 C UNK A 0 -3.927 0.472 1.313 0.00 0.00 +0.220 A ATOM 7 N UNK A 0 -3.506 -0.764 0.967 0.00 0.00 -0.221 NA ATOM 8 C UNK A 0 -2.367 -0.890 0.250 0.00 0.00 +0.101 A ATOM 9 N UNK A 0 -1.433 2.529 -0.100 0.00 0.00 -0.195 NA ENDROOT BRANCH 6 10 ATOM 10 C UNK A 0 -5.179 0.550 2.094 0.00 0.00 +0.287 A ATOM 11 O UNK A 0 -5.768 -0.641 2.381 0.00 0.00 -0.385 OA ATOM 12 C UNK A 0 -6.876 -0.297 3.089 0.00 0.00 +0.436 A ATOM 13 O UNK A 0 -7.699 -1.069 3.548 0.00 0.00 -0.221 OA ATOM 14 N UNK A 0 -6.871 1.067 3.175 0.00 0.00 -0.208 N ATOM 15 H UNK A 0 -7.568 1.630 3.642 0.00 0.00 +0.195 HD ATOM 16 N UNK A 0 -5.795 1.604 2.543 0.00 0.00 -0.127 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C UNK A 0 -2.001 -2.244 -0.136 0.00 0.00 +0.004 A ATOM 18 C UNK A 0 -1.457 -3.131 0.804 0.00 0.00 +0.030 A ATOM 19 C UNK A 0 -1.103 -4.427 0.430 0.00 0.00 +0.042 A ATOM 20 CL UNK A 0 -0.405 -5.489 1.589 0.00 0.00 -0.084 Cl ATOM 21 C UNK A 0 -1.302 -4.866 -0.877 0.00 0.00 +0.020 A ATOM 22 C UNK A 0 -1.866 -4.004 -1.817 0.00 0.00 +0.002 A ATOM 23 C UNK A 0 -2.216 -2.703 -1.447 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 N ALA A 1 0.587 2.644 -1.356 0.00 0.00 -0.310 N ATOM 25 H ALA A 1 1.149 2.183 -2.062 0.00 0.00 +0.149 HD BRANCH 24 27 ATOM 26 CB ALA A 1 -0.132 4.408 -2.892 0.00 0.00 +0.030 C ATOM 27 CA ALA A 1 0.496 4.101 -1.531 0.00 0.00 +0.095 C BRANCH 27 28 ATOM 28 C ALA A 1 1.907 4.710 -1.410 0.00 0.00 +0.177 C BRANCH 28 29 ATOM 29 O ALA A 1 1.886 6.121 -1.599 0.00 0.00 -0.393 OA ATOM 30 H ALA A 1 2.777 6.451 -1.387 0.00 0.00 +0.209 HD ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 2 31 ATOM 31 C UNK A 0 0.523 -0.285 -1.225 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C UNK A 0 1.823 -0.316 -0.397 0.00 0.00 +0.009 C ATOM 33 C UNK A 0 2.896 -1.121 -1.147 0.00 0.00 +0.005 C ATOM 34 C UNK A 0 4.200 -1.205 -0.357 0.00 0.00 +0.003 C ATOM 35 C UNK A 0 3.978 -1.782 1.046 0.00 0.00 -0.014 C ATOM 36 C UNK A 0 5.286 -1.808 1.833 0.00 0.00 +0.007 C ATOM 37 C UNK A 0 2.908 -0.982 1.798 0.00 0.00 +0.003 C ATOM 38 C UNK A 0 1.603 -0.903 1.006 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 8