REMARK Name = BDB052600 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -1.853 -0.757 -0.945 0.00 0.00 +0.134 A ATOM 2 C UNK A 0 -0.481 -1.040 -0.825 0.00 0.00 +0.088 A ATOM 3 C UNK A 0 -0.038 -2.213 -1.415 0.00 0.00 +0.233 A ATOM 4 O UNK A 0 1.293 -2.372 -1.201 0.00 0.00 -0.436 OA ATOM 5 C UNK A 0 1.738 -1.297 -0.482 0.00 0.00 +0.146 A ATOM 6 N UNK A 0 -0.765 -3.104 -2.101 0.00 0.00 -0.200 NA ATOM 7 C UNK A 0 -2.045 -2.731 -2.172 0.00 0.00 +0.227 A ATOM 8 C UNK A 0 0.673 -0.444 -0.223 0.00 0.00 +0.041 A ATOM 9 N UNK A 0 -2.617 -1.634 -1.642 0.00 0.00 -0.220 NA ENDROOT BRANCH 5 10 ATOM 10 C UNK A 0 3.171 -1.312 -0.191 0.00 0.00 +0.018 A ATOM 11 C UNK A 0 3.917 -0.127 -0.129 0.00 0.00 +0.011 A ATOM 12 C UNK A 0 5.285 -0.155 0.158 0.00 0.00 +0.001 A ATOM 13 C UNK A 0 5.927 -1.371 0.381 0.00 0.00 +0.000 A ATOM 14 C UNK A 0 5.204 -2.558 0.314 0.00 0.00 +0.001 A ATOM 15 C UNK A 0 3.837 -2.529 0.028 0.00 0.00 +0.011 A ENDBRANCH 5 10 BRANCH 8 16 ATOM 16 C UNK A 0 0.769 0.783 0.544 0.00 0.00 -0.014 A ATOM 17 C UNK A 0 1.113 0.747 1.900 0.00 0.00 +0.008 A ATOM 18 C UNK A 0 1.185 1.931 2.636 0.00 0.00 +0.001 A ATOM 19 C UNK A 0 0.910 3.152 2.023 0.00 0.00 +0.000 A ATOM 20 C UNK A 0 0.563 3.194 0.673 0.00 0.00 +0.001 A ATOM 21 C UNK A 0 0.493 2.012 -0.066 0.00 0.00 +0.008 A ENDBRANCH 8 16 BRANCH 1 22 ATOM 22 N ALA A 1 -2.434 0.382 -0.387 0.00 0.00 -0.324 N ATOM 23 H ALA A 1 -1.890 0.743 0.391 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 CB ALA A 1 -4.219 1.298 0.994 0.00 0.00 +0.030 C ATOM 25 CA ALA A 1 -3.882 0.364 -0.175 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C ALA A 1 -4.630 0.818 -1.446 0.00 0.00 +0.177 C BRANCH 26 27 ATOM 27 O ALA A 1 -6.039 0.619 -1.314 0.00 0.00 -0.393 OA ATOM 28 H ALA A 1 -6.185 -0.343 -1.348 0.00 0.00 +0.209 HD ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 TORSDOF 6