REMARK Name = BDB049548 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.167 -0.388 0.167 0.00 0.00 +0.023 A ATOM 2 C LIG 1 4.114 0.177 1.446 0.00 0.00 +0.015 A ATOM 3 C LIG 1 2.884 0.426 2.062 0.00 0.00 +0.046 A ATOM 4 C LIG 1 1.684 0.115 1.418 0.00 0.00 +0.121 A ATOM 5 C LIG 1 1.727 -0.443 0.142 0.00 0.00 +0.046 A ATOM 6 C LIG 1 2.959 -0.694 -0.478 0.00 0.00 +0.015 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 7.533 -0.730 -0.766 0.00 0.00 +0.248 A ATOM 8 O LIG 1 6.964 -1.252 -1.888 0.00 0.00 -0.336 OA ATOM 9 N LIG 1 5.586 -1.198 -1.693 0.00 0.00 -0.056 NA ATOM 10 C LIG 1 5.452 -0.647 -0.474 0.00 0.00 +0.202 A ATOM 11 N LIG 1 6.654 -0.343 0.134 0.00 0.00 -0.190 NA BRANCH 7 12 ATOM 12 C LIG 1 9.023 -0.680 -0.726 0.00 0.00 +0.159 C ATOM 13 C LIG 1 9.590 -2.014 -0.247 0.00 0.00 +0.038 C BRANCH 12 16 ATOM 14 C LIG 1 10.912 2.050 1.127 0.00 0.00 +0.109 C ATOM 15 C LIG 1 10.667 0.969 0.108 0.00 0.00 +0.211 C ATOM 16 N LIG 1 9.420 0.404 0.165 0.00 0.00 -0.304 N ATOM 17 H LIG 1 8.762 0.677 0.887 0.00 0.00 +0.149 HD ATOM 18 O LIG 1 11.523 0.629 -0.702 0.00 0.00 -0.276 OA ENDBRANCH 12 16 ENDBRANCH 7 12 ENDBRANCH 1 10 BRANCH 4 19 ATOM 19 O LIG 1 0.563 0.418 2.136 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 -0.714 0.029 1.623 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 C LIG 1 -1.289 1.130 0.735 0.00 0.00 +0.082 C BRANCH 21 22 ATOM 22 C LIG 1 -2.623 0.729 0.115 0.00 0.00 +0.232 C BRANCH 22 23 ATOM 23 O LIG 1 -3.556 0.462 1.159 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 -4.812 0.069 0.788 0.00 0.00 +0.121 A ATOM 25 C LIG 1 -5.671 -0.215 1.855 0.00 0.00 +0.049 A ATOM 26 C LIG 1 -6.984 -0.628 1.620 0.00 0.00 +0.050 A ATOM 27 C LIG 1 -7.450 -0.742 0.313 0.00 0.00 +0.129 A ATOM 28 C LIG 1 -6.593 -0.481 -0.759 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -5.278 -0.068 -0.521 0.00 0.00 +0.049 A BRANCH 27 30 ATOM 30 O LIG 1 -8.741 -1.185 0.144 0.00 0.00 -0.456 OA BRANCH 30 31 ATOM 31 C LIG 1 -9.524 -0.515 -0.769 0.00 0.00 +0.128 A ATOM 32 C LIG 1 -9.635 0.877 -0.789 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -10.476 1.492 -1.718 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -11.214 0.716 -2.613 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -11.119 -0.676 -2.575 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -10.279 -1.293 -1.648 0.00 0.00 +0.046 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 4 19 TORSDOF 11