REMARK Name = BDB011732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.788 0.226 1.011 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -1.245 1.648 0.818 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -2.068 2.108 1.623 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.768 2.419 -0.239 0.00 0.00 -0.259 N ATOM 5 C LIG 1 0.119 2.029 -1.325 0.00 0.00 +0.058 A ATOM 6 C LIG 1 1.034 0.937 -1.354 0.00 0.00 +0.058 A ATOM 7 C LIG 1 1.856 0.781 -2.506 0.00 0.00 +0.025 A ATOM 8 C LIG 1 1.769 1.599 -3.628 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.848 2.617 -3.635 0.00 0.00 +0.002 A ATOM 10 N LIG 1 1.291 -0.010 -0.294 0.00 0.00 -0.263 N ATOM 11 C LIG 1 1.692 -1.331 -0.609 0.00 0.00 +0.251 C ATOM 12 O LIG 1 1.491 -1.881 -1.691 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 0.049 2.821 -2.508 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.732 0.238 1.026 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 2.434 -2.110 0.416 0.00 0.00 +0.037 A ATOM 16 C LIG 1 3.490 -1.529 1.130 0.00 0.00 +0.014 A ATOM 17 C LIG 1 4.201 -2.286 2.067 0.00 0.00 +0.012 A ATOM 18 C LIG 1 3.868 -3.631 2.286 0.00 0.00 +0.017 A ATOM 19 C LIG 1 2.824 -4.210 1.550 0.00 0.00 +0.012 A ATOM 20 C LIG 1 2.114 -3.456 0.613 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 4.599 -4.481 3.274 0.00 0.00 +0.160 C ATOM 22 O LIG 1 4.337 -5.678 3.370 0.00 0.00 -0.292 OA ATOM 23 C LIG 1 5.659 -3.847 4.138 0.00 0.00 +0.091 C ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 -1.456 -2.054 0.382 0.00 0.00 +0.230 C ATOM 25 N LIG 1 -1.407 -0.708 0.080 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -1.475 -0.433 -0.894 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 -1.112 -2.485 1.482 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -2.008 -2.950 -0.753 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -3.531 -2.814 -0.774 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 -1.986 -5.277 -1.533 0.00 0.00 +0.101 C ATOM 31 N LIG 1 -1.532 -4.328 -0.533 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 -1.803 -4.626 0.406 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 -1.332 3.791 -0.234 0.00 0.00 +0.209 C BRANCH 33 34 ATOM 34 C LIG 1 -2.717 3.848 -0.890 0.00 0.00 +0.236 C ATOM 35 N LIG 1 -3.501 4.958 -0.858 0.00 0.00 -0.263 N ATOM 36 H LIG 1 -4.404 4.820 -1.294 0.00 0.00 +0.157 HD ATOM 37 O LIG 1 -3.165 2.875 -1.513 0.00 0.00 -0.274 OA BRANCH 35 38 ATOM 38 C LIG 1 -3.345 6.224 -0.367 0.00 0.00 +0.164 A ATOM 39 S LIG 1 -1.919 6.811 0.349 0.00 0.00 -0.061 S ATOM 40 C LIG 1 -2.659 8.337 0.583 0.00 0.00 +0.068 A ATOM 41 C LIG 1 -3.942 8.300 0.086 0.00 0.00 +0.120 A ATOM 42 N LIG 1 -4.325 7.093 -0.464 0.00 0.00 -0.233 NA ENDBRANCH 35 38 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 8