REMARK Name = BDB063107 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 0.895 0.498 -0.101 0.00 0.00 +0.105 A ATOM 2 C UNK A 0 0.271 -0.855 -0.033 0.00 0.00 +0.284 A ATOM 3 O UNK A 0 1.010 -1.838 -0.119 0.00 0.00 -0.265 OA ATOM 4 N UNK A 0 -1.124 -0.886 0.122 0.00 0.00 -0.196 N ATOM 5 N UNK A 0 -1.879 0.260 0.272 0.00 0.00 -0.163 NA ATOM 6 C UNK A 0 -1.296 1.413 0.250 0.00 0.00 +0.093 A ATOM 7 C UNK A 0 0.143 1.597 0.032 0.00 0.00 +0.048 A ENDROOT BRANCH 4 8 ATOM 8 C UNK A 0 -1.918 -2.093 0.168 0.00 0.00 +0.072 A ATOM 9 C UNK A 0 -3.302 -2.014 0.418 0.00 0.00 +0.066 A ATOM 10 C UNK A 0 -4.094 -3.159 0.465 0.00 0.00 +0.125 A ATOM 11 F UNK A 0 -5.407 -3.041 0.707 0.00 0.00 -0.205 F ATOM 12 C UNK A 0 -3.550 -4.417 0.264 0.00 0.00 +0.038 A ATOM 13 C UNK A 0 -2.189 -4.527 0.012 0.00 0.00 +0.005 A ATOM 14 C UNK A 0 -1.384 -3.377 -0.036 0.00 0.00 +0.028 A ENDBRANCH 4 8 BRANCH 6 15 ATOM 15 C UNK A 0 -2.123 2.641 0.428 0.00 0.00 +0.002 A ATOM 16 C UNK A 0 -3.438 2.641 -0.062 0.00 0.00 +0.011 A ATOM 17 C UNK A 0 -4.249 3.768 0.093 0.00 0.00 +0.020 A ATOM 18 C UNK A 0 -3.751 4.894 0.745 0.00 0.00 +0.041 A ATOM 19 CL UNK A 0 -4.749 6.282 0.936 0.00 0.00 -0.084 Cl ATOM 20 C UNK A 0 -2.451 4.901 1.248 0.00 0.00 +0.020 A ATOM 21 C UNK A 0 -1.637 3.774 1.095 0.00 0.00 +0.011 A ENDBRANCH 6 15 BRANCH 1 24 ATOM 22 N ALA A 1 3.139 -0.370 -0.470 0.00 0.00 -0.306 N ATOM 23 H ALA A 1 2.716 -1.277 -0.263 0.00 0.00 +0.149 HD ATOM 24 C UNK A 0 2.356 0.742 -0.324 0.00 0.00 +0.250 C ATOM 25 O UNK A 0 2.811 1.884 -0.360 0.00 0.00 -0.270 OA BRANCH 22 27 ATOM 26 CB ALA A 1 5.080 0.238 -1.865 0.00 0.00 +0.030 C ATOM 27 CA ALA A 1 4.599 -0.317 -0.525 0.00 0.00 +0.095 C BRANCH 27 28 ATOM 28 C ALA A 1 5.194 -1.717 -0.296 0.00 0.00 +0.177 C BRANCH 28 29 ATOM 29 O ALA A 1 4.800 -2.211 0.982 0.00 0.00 -0.393 OA ATOM 30 H ALA A 1 5.167 -3.108 1.069 0.00 0.00 +0.209 HD ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 22 27 ENDBRANCH 1 24 TORSDOF 6