REMARK Name = BDB010520 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -0.607 2.079 -0.078 0.00 0.00 +0.198 A ATOM 2 N UNK A 0 -0.574 0.741 -0.430 0.00 0.00 -0.309 N ATOM 3 C UNK A 0 -1.755 0.167 -0.004 0.00 0.00 +0.115 A ATOM 4 C UNK A 0 -2.417 1.205 0.635 0.00 0.00 +0.184 A ATOM 5 N UNK A 0 -3.616 1.087 1.229 0.00 0.00 -0.203 NA ATOM 6 C UNK A 0 -4.113 -0.148 1.150 0.00 0.00 +0.202 A ATOM 7 N UNK A 0 -3.557 -1.230 0.555 0.00 0.00 -0.222 NA ATOM 8 C UNK A 0 -2.355 -1.085 -0.047 0.00 0.00 +0.101 A ATOM 9 N UNK A 0 -1.704 2.361 0.582 0.00 0.00 -0.195 NA ENDROOT BRANCH 6 10 ATOM 10 C UNK A 0 -5.432 -0.390 1.778 0.00 0.00 +0.220 A ATOM 11 N UNK A 0 -5.969 -1.620 1.711 0.00 0.00 -0.269 N ATOM 12 H UNK A 0 -5.574 -2.433 1.268 0.00 0.00 +0.174 HD ATOM 13 C UNK A 0 -7.146 -1.566 2.347 0.00 0.00 +0.440 A ATOM 14 O UNK A 0 -7.923 -2.496 2.493 0.00 0.00 -0.221 OA ATOM 15 O UNK A 0 -7.332 -0.287 2.810 0.00 0.00 -0.295 OA ATOM 16 N UNK A 0 -6.175 0.459 2.411 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C UNK A 0 -1.811 -2.272 -0.689 0.00 0.00 +0.004 A ATOM 18 C UNK A 0 -1.904 -2.446 -2.079 0.00 0.00 +0.030 A ATOM 19 C UNK A 0 -1.380 -3.588 -2.684 0.00 0.00 +0.042 A ATOM 20 CL UNK A 0 -1.479 -3.768 -4.391 0.00 0.00 -0.084 Cl ATOM 21 C UNK A 0 -0.771 -4.580 -1.918 0.00 0.00 +0.020 A ATOM 22 C UNK A 0 -0.693 -4.433 -0.535 0.00 0.00 +0.002 A ATOM 23 C UNK A 0 -1.215 -3.289 0.075 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 N ALA A 1 0.394 2.936 -0.376 0.00 0.00 -0.310 N ATOM 25 H ALA A 1 1.024 2.760 -1.150 0.00 0.00 +0.149 HD BRANCH 24 27 ATOM 26 CB ALA A 1 -0.505 5.081 -1.143 0.00 0.00 +0.030 C ATOM 27 CA ALA A 1 0.248 4.354 -0.026 0.00 0.00 +0.095 C BRANCH 27 28 ATOM 28 C ALA A 1 1.648 4.965 0.197 0.00 0.00 +0.177 C BRANCH 28 29 ATOM 29 O ALA A 1 1.600 6.315 0.648 0.00 0.00 -0.393 OA ATOM 30 H ALA A 1 1.250 6.864 -0.073 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 0.525 0.061 -1.095 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C UNK A 0 1.462 -0.694 -0.130 0.00 0.00 +0.009 C ATOM 33 C UNK A 0 2.299 0.280 0.723 0.00 0.00 +0.005 C ATOM 34 C UNK A 0 3.570 -0.385 1.239 0.00 0.00 +0.003 C ATOM 35 C UNK A 0 4.504 -0.775 0.081 0.00 0.00 -0.014 C ATOM 36 C UNK A 0 5.438 -1.906 0.516 0.00 0.00 +0.007 C ATOM 37 C UNK A 0 3.732 -1.143 -1.200 0.00 0.00 +0.003 C ATOM 38 C UNK A 0 2.346 -1.702 -0.895 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 8