REMARK Name = BDB048197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.338 1.169 1.387 0.00 0.00 -0.492 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.227 0.133 1.434 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -3.543 0.511 1.709 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -4.587 -0.433 1.792 0.00 0.00 -0.024 A ATOM 5 C LIG 1 -4.292 -1.793 1.569 0.00 0.00 -0.042 A ATOM 6 C LIG 1 -2.964 -2.164 1.296 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -1.942 -1.213 1.229 0.00 0.00 +0.046 A BRANCH 4 8 ATOM 8 C LIG 1 -5.982 0.081 2.063 0.00 0.00 +0.143 C BRANCH 8 9 ATOM 9 N LIG 1 -6.647 0.422 0.834 0.00 0.00 -0.277 N ATOM 10 H LIG 1 -6.831 -0.292 0.145 0.00 0.00 +0.152 HD ATOM 11 C LIG 1 -6.783 1.705 0.405 0.00 0.00 +0.401 C ATOM 12 O LIG 1 -6.493 2.702 1.048 0.00 0.00 -0.226 OA BRANCH 11 13 ATOM 13 O LIG 1 -7.288 1.695 -0.852 0.00 0.00 -0.448 OA BRANCH 13 14 ATOM 14 C LIG 1 -7.497 2.983 -1.460 0.00 0.00 +0.172 C ATOM 15 C LIG 1 -8.855 3.531 -1.037 0.00 0.00 +0.052 C ATOM 16 C LIG 1 -7.442 2.783 -2.969 0.00 0.00 +0.052 C ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 8 9 ENDBRANCH 4 8 BRANCH 5 17 ATOM 17 C LIG 1 -5.338 -2.884 1.641 0.00 0.00 +0.046 C BRANCH 17 18 ATOM 18 C LIG 1 -5.454 -3.452 3.054 0.00 0.00 +0.125 C BRANCH 18 19 ATOM 19 C LIG 1 -6.533 -4.502 3.130 0.00 0.00 +0.305 C ATOM 20 O LIG 1 -7.247 -4.846 2.203 0.00 0.00 -0.251 OA BRANCH 19 21 ATOM 21 O LIG 1 -6.644 -5.039 4.367 0.00 0.00 -0.481 OA ATOM 22 H LIG 1 -6.013 -4.677 5.018 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 5 17 ENDBRANCH 1 2 BRANCH 1 23 ATOM 23 C LIG 1 0.038 0.885 1.118 0.00 0.00 +0.235 C BRANCH 23 24 ATOM 24 C LIG 1 0.296 0.833 -0.387 0.00 0.00 +0.100 C BRANCH 24 27 ATOM 25 C LIG 1 1.365 -1.358 -2.723 0.00 0.00 +0.088 C ATOM 26 C LIG 1 2.048 -0.568 -1.686 0.00 0.00 +0.126 A ATOM 27 C LIG 1 1.655 0.334 -0.719 0.00 0.00 +0.086 A ATOM 28 N LIG 1 2.762 0.769 -0.025 0.00 0.00 -0.214 NA ATOM 29 C LIG 1 3.772 0.126 -0.579 0.00 0.00 +0.228 A ATOM 30 O LIG 1 3.404 -0.711 -1.599 0.00 0.00 -0.440 OA BRANCH 29 31 ATOM 31 C LIG 1 5.195 0.185 -0.252 0.00 0.00 +0.037 A ATOM 32 C LIG 1 5.641 1.069 0.744 0.00 0.00 +0.017 A ATOM 33 C LIG 1 6.995 1.142 1.083 0.00 0.00 +0.047 A ATOM 34 C LIG 1 7.923 0.341 0.419 0.00 0.00 +0.128 A ATOM 35 C LIG 1 7.495 -0.559 -0.559 0.00 0.00 +0.047 A ATOM 36 C LIG 1 6.139 -0.628 -0.897 0.00 0.00 +0.017 A BRANCH 34 37 ATOM 37 O LIG 1 9.233 0.438 0.832 0.00 0.00 -0.456 OA BRANCH 37 38 ATOM 38 C LIG 1 10.206 0.411 -0.140 0.00 0.00 +0.128 A ATOM 39 C LIG 1 11.265 -0.480 0.037 0.00 0.00 +0.046 A ATOM 40 C LIG 1 12.296 -0.526 -0.902 0.00 0.00 +0.004 A ATOM 41 C LIG 1 12.274 0.329 -2.005 0.00 0.00 +0.000 A ATOM 42 C LIG 1 11.226 1.236 -2.167 0.00 0.00 +0.004 A ATOM 43 C LIG 1 10.193 1.284 -1.230 0.00 0.00 +0.046 A ENDBRANCH 37 38 ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 15