REMARK Name = BDB060740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.968 0.924 -1.349 0.00 0.00 +0.058 C ATOM 2 C LIG 1 4.730 1.068 -0.857 0.00 0.00 +0.176 C ATOM 3 C LIG 1 3.801 2.137 -1.312 0.00 0.00 +0.231 C ATOM 4 O LIG 1 3.979 3.012 -2.131 0.00 0.00 -0.283 OA ATOM 5 C LIG 1 2.602 1.883 -0.524 0.00 0.00 +0.068 A ATOM 6 C LIG 1 2.861 0.778 0.278 0.00 0.00 +0.143 A ATOM 7 C LIG 1 1.908 0.289 1.145 0.00 0.00 +0.092 A ATOM 8 C LIG 1 0.668 0.943 1.201 0.00 0.00 +0.125 A ATOM 9 C LIG 1 0.413 2.057 0.374 0.00 0.00 +0.046 A ATOM 10 C LIG 1 1.391 2.543 -0.502 0.00 0.00 +0.019 A ATOM 11 O LIG 1 4.125 0.264 0.103 0.00 0.00 -0.451 OA ENDROOT BRANCH 1 15 ATOM 12 C LIG 1 8.852 -2.067 -0.287 0.00 0.00 +0.120 A ATOM 13 C LIG 1 8.074 -1.466 0.703 0.00 0.00 +0.046 A ATOM 14 C LIG 1 7.124 -0.493 0.376 0.00 0.00 +0.011 A ATOM 15 C LIG 1 6.928 -0.115 -0.956 0.00 0.00 -0.021 A ATOM 16 C LIG 1 7.724 -0.707 -1.945 0.00 0.00 +0.011 A ATOM 17 C LIG 1 8.676 -1.681 -1.615 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 10.554 -3.643 -0.803 0.00 0.00 +0.277 C ATOM 19 O LIG 1 9.741 -3.000 0.170 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 1 15 BRANCH 8 20 ATOM 20 O LIG 1 -0.218 0.383 2.082 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.405 1.109 2.415 0.00 0.00 +0.264 C BRANCH 21 22 ATOM 22 C LIG 1 -2.544 0.877 1.448 0.00 0.00 -0.010 A ATOM 23 C LIG 1 -2.702 -0.346 0.786 0.00 0.00 +0.014 A ATOM 24 C LIG 1 -3.774 -0.567 -0.095 0.00 0.00 -0.008 A ATOM 25 C LIG 1 -3.847 -1.882 -0.814 0.00 0.00 +0.047 C ATOM 26 C LIG 1 -4.744 0.437 -0.252 0.00 0.00 +0.128 A ATOM 27 C LIG 1 -4.572 1.692 0.354 0.00 0.00 -0.008 A ATOM 28 C LIG 1 -5.527 2.831 0.135 0.00 0.00 +0.047 C ATOM 29 C LIG 1 -3.489 1.887 1.227 0.00 0.00 +0.014 A BRANCH 26 30 ATOM 30 O LIG 1 -5.818 0.232 -1.078 0.00 0.00 -0.475 OA BRANCH 30 31 ATOM 31 C LIG 1 -6.960 -0.397 -0.469 0.00 0.00 +0.200 C ATOM 32 C LIG 1 -7.321 -1.599 -1.364 0.00 0.00 +0.067 C ATOM 33 C LIG 1 -8.138 0.590 -0.584 0.00 0.00 +0.067 C BRANCH 31 34 ATOM 34 C LIG 1 -6.874 -0.909 0.995 0.00 0.00 +0.348 C ATOM 35 O LIG 1 -6.682 -2.061 1.356 0.00 0.00 -0.247 OA BRANCH 34 36 ATOM 36 O LIG 1 -7.018 0.058 1.927 0.00 0.00 -0.478 OA ATOM 37 H LIG 1 -6.866 -0.413 2.773 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 8 20 TORSDOF 9