REMARK Name = BDB020617 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.025 0.900 -0.056 0.00 0.00 +0.001 A ATOM 2 C LIG 1 -1.880 -0.472 -0.089 0.00 0.00 +0.100 A ATOM 3 N LIG 1 -0.553 -0.819 0.104 0.00 0.00 -0.318 N ATOM 4 C LIG 1 0.143 0.378 0.269 0.00 0.00 +0.048 A ATOM 5 C LIG 1 1.538 0.313 0.510 0.00 0.00 +0.039 A ATOM 6 C LIG 1 2.141 -0.887 0.556 0.00 0.00 +0.043 A ATOM 7 C LIG 1 1.413 -2.154 0.373 0.00 0.00 -0.017 A ATOM 8 C LIG 1 2.267 -3.394 0.474 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.067 -2.104 0.145 0.00 0.00 +0.044 A ATOM 10 C LIG 1 -0.734 1.436 0.157 0.00 0.00 +0.036 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.678 1.750 0.263 0.00 0.00 +0.166 A ATOM 12 C LIG 1 -5.725 2.929 -0.500 0.00 0.00 +0.204 A ATOM 13 C LIG 1 -4.582 3.425 -1.150 0.00 0.00 +0.166 A ATOM 14 C LIG 1 -3.369 2.752 -0.991 0.00 0.00 +0.058 A ATOM 15 C LIG 1 -3.299 1.582 -0.220 0.00 0.00 -0.009 A ATOM 16 C LIG 1 -4.456 1.087 0.401 0.00 0.00 +0.058 A BRANCH 11 18 ATOM 17 C LIG 1 -6.855 0.114 1.540 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -6.857 1.347 0.834 0.00 0.00 -0.491 OA ENDBRANCH 11 18 BRANCH 12 19 ATOM 19 O LIG 1 -6.933 3.569 -0.677 0.00 0.00 -0.488 OA ATOM 20 C LIG 1 -7.108 4.552 0.342 0.00 0.00 +0.277 C ENDBRANCH 12 19 BRANCH 13 21 ATOM 21 O LIG 1 -4.749 4.569 -1.886 0.00 0.00 -0.491 OA ATOM 22 C LIG 1 -3.700 4.925 -2.776 0.00 0.00 +0.277 C ENDBRANCH 13 21 ENDBRANCH 1 15 BRANCH 6 23 ATOM 23 C LIG 1 3.611 -0.835 0.790 0.00 0.00 +0.245 C ATOM 24 N LIG 1 4.335 -0.851 -0.374 0.00 0.00 -0.307 N ATOM 25 H LIG 1 3.853 -0.801 -1.265 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 4.085 -0.775 1.916 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 5.770 -0.685 -0.395 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 C LIG 1 6.097 0.755 -0.659 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.899 1.187 -2.082 0.00 0.00 +0.254 A ATOM 30 O LIG 1 5.455 0.425 -2.937 0.00 0.00 -0.268 OA ATOM 31 N LIG 1 6.226 2.484 -2.384 0.00 0.00 -0.326 N ATOM 32 H LIG 1 6.085 2.755 -3.349 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 6.700 3.397 -1.474 0.00 0.00 +0.016 A ATOM 34 C LIG 1 7.003 4.772 -1.982 0.00 0.00 +0.063 C ATOM 35 C LIG 1 6.869 3.018 -0.200 0.00 0.00 +0.024 A ATOM 36 C LIG 1 6.560 1.661 0.231 0.00 0.00 -0.039 A ATOM 37 C LIG 1 6.795 1.408 1.695 0.00 0.00 +0.044 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 6 23 BRANCH 9 38 ATOM 38 C LIG 1 -0.796 -3.358 -0.085 0.00 0.00 +0.101 C ATOM 39 C LIG 1 -1.180 -3.421 -1.578 0.00 0.00 +0.031 C BRANCH 38 40 ATOM 40 N LIG 1 -1.957 -3.458 0.836 0.00 0.00 -0.290 NA ATOM 41 C LIG 1 -1.549 -3.549 2.262 0.00 0.00 +0.113 C ATOM 42 C LIG 1 -0.993 -4.926 2.671 0.00 0.00 +0.175 C ATOM 43 O LIG 1 -1.913 -5.980 2.359 0.00 0.00 -0.377 OA ATOM 44 C LIG 1 -2.264 -5.963 0.971 0.00 0.00 +0.175 C ATOM 45 C LIG 1 -2.857 -4.603 0.568 0.00 0.00 +0.113 C ENDBRANCH 38 40 ENDBRANCH 9 38 TORSDOF 9