REMARK Name = BDB011783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.153 2.085 1.548 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.121 1.278 0.232 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.645 1.698 -0.807 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.651 0.106 0.234 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.204 -1.078 0.965 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.873 -1.058 1.895 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -1.356 -2.254 2.462 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.782 -3.478 2.142 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.294 -3.516 1.271 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -1.419 0.160 2.377 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.776 0.485 2.447 0.00 0.00 +0.251 C ATOM 12 O LIG 1 -3.183 1.547 2.919 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 0.779 -2.334 0.698 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.430 1.178 2.729 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -3.787 -0.402 1.827 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -4.865 -0.837 2.602 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -5.841 -1.656 2.029 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -5.757 -2.026 0.678 0.00 0.00 +0.017 A ATOM 19 C LIG 1 -4.689 -1.558 -0.100 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -3.710 -0.739 0.471 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 -6.824 -2.908 0.117 0.00 0.00 +0.160 C ATOM 22 O LIG 1 -7.693 -3.361 0.858 0.00 0.00 -0.292 OA ATOM 23 C LIG 1 -6.807 -3.231 -1.355 0.00 0.00 +0.091 C ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 -0.870 4.360 0.875 0.00 0.00 +0.230 C ATOM 25 N LIG 1 -1.158 3.149 1.461 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -2.125 2.888 1.634 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 0.281 4.684 0.580 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -2.080 5.321 0.706 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -3.305 4.650 0.083 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 -1.493 6.357 -1.455 0.00 0.00 +0.101 C ATOM 31 N LIG 1 -1.663 6.551 -0.018 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 -0.748 6.810 0.364 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 1.460 -0.058 -0.987 0.00 0.00 +0.153 C BRANCH 33 34 ATOM 34 C LIG 1 2.945 -0.324 -0.763 0.00 0.00 +0.020 A ATOM 35 C LIG 1 3.652 -1.338 -1.490 0.00 0.00 -0.010 A ATOM 36 C LIG 1 5.029 -1.554 -1.206 0.00 0.00 -0.017 A ATOM 37 C LIG 1 5.755 -2.555 -1.876 0.00 0.00 +0.021 A ATOM 38 C LIG 1 5.149 -3.350 -2.853 0.00 0.00 +0.039 A ATOM 39 C LIG 1 3.804 -3.155 -3.149 0.00 0.00 +0.014 A ATOM 40 C LIG 1 5.681 -0.769 -0.249 0.00 0.00 +0.012 A ATOM 41 C LIG 1 5.010 0.254 0.408 0.00 0.00 +0.046 A ATOM 42 C LIG 1 3.073 -2.163 -2.486 0.00 0.00 +0.010 A ATOM 43 C LIG 1 3.668 0.496 0.126 0.00 0.00 +0.125 A BRANCH 38 44 ATOM 44 C LIG 1 5.887 -4.417 -3.579 0.00 0.00 +0.267 C ATOM 45 N LIG 1 7.254 -4.268 -3.681 0.00 0.00 -0.193 N ATOM 46 H LIG 1 7.694 -3.355 -3.622 0.00 0.00 +0.183 HD ATOM 47 O LIG 1 5.295 -5.357 -4.102 0.00 0.00 -0.268 OA BRANCH 45 48 ATOM 48 O LIG 1 7.880 -5.188 -4.560 0.00 0.00 -0.295 OA ATOM 49 H LIG 1 7.130 -5.764 -4.828 0.00 0.00 +0.241 HD ENDBRANCH 45 48 ENDBRANCH 38 44 BRANCH 43 50 ATOM 50 O LIG 1 3.039 1.530 0.771 0.00 0.00 -0.495 OA ATOM 51 C LIG 1 3.496 2.795 0.276 0.00 0.00 +0.277 C ENDBRANCH 43 50 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 10