REMARK Name = BDB057527 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.791 1.069 -1.271 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.803 0.633 -2.742 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -2.774 -0.512 -3.169 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -2.888 1.671 -3.604 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -2.939 1.241 -4.483 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -4.106 0.727 -0.676 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -4.259 -0.292 -0.731 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.437 1.191 0.611 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -5.286 0.437 1.456 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -5.647 0.907 2.730 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -5.221 2.161 3.158 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -4.441 2.945 2.315 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -4.064 2.469 1.054 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -5.758 -0.906 1.029 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -4.966 -1.672 0.482 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -7.165 -1.335 1.242 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -7.427 -2.697 1.427 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -8.737 -3.137 1.623 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -9.788 -2.220 1.621 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -9.534 -0.864 1.416 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -8.224 -0.419 1.221 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 22 ATOM 22 C LIG 1 -1.648 0.339 -0.539 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 2.262 1.673 -1.831 0.00 0.00 +0.121 A ATOM 24 C LIG 1 1.524 2.419 -0.909 0.00 0.00 +0.046 A ATOM 25 C LIG 1 0.265 1.990 -0.483 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -0.277 0.800 -0.980 0.00 0.00 -0.045 A ATOM 27 C LIG 1 0.462 0.055 -1.906 0.00 0.00 +0.007 A ATOM 28 C LIG 1 1.724 0.488 -2.329 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 3.475 2.215 -2.151 0.00 0.00 -0.489 OA BRANCH 29 30 ATOM 30 C LIG 1 4.350 1.496 -3.025 0.00 0.00 +0.270 C BRANCH 30 31 ATOM 31 C LIG 1 5.155 0.433 -2.273 0.00 0.00 +0.270 C BRANCH 31 32 ATOM 32 O LIG 1 6.120 1.091 -1.445 0.00 0.00 -0.489 OA BRANCH 32 36 ATOM 33 C LIG 1 8.722 -1.075 1.000 0.00 0.00 +0.017 A ATOM 34 C LIG 1 7.807 -1.779 0.209 0.00 0.00 +0.015 A ATOM 35 C LIG 1 6.916 -1.091 -0.627 0.00 0.00 +0.046 A ATOM 36 C LIG 1 6.931 0.303 -0.678 0.00 0.00 +0.121 A ATOM 37 C LIG 1 7.845 1.004 0.112 0.00 0.00 +0.046 A ATOM 38 C LIG 1 8.736 0.323 0.945 0.00 0.00 +0.015 A BRANCH 33 40 ATOM 39 C LIG 1 9.656 -3.266 2.004 0.00 0.00 +0.091 C ATOM 40 C LIG 1 9.691 -1.763 1.905 0.00 0.00 +0.160 C ATOM 41 O LIG 1 10.501 -1.104 2.554 0.00 0.00 -0.292 OA ENDBRANCH 33 40 ENDBRANCH 32 36 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 14