REMARK Name = BDB058754 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.495 -1.322 2.050 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.864 -2.347 1.329 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.453 -2.441 1.329 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.472 -3.340 0.712 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -1.747 -2.945 1.090 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -1.622 -1.830 1.898 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -3.065 -3.541 0.726 0.00 0.00 +0.064 C ATOM 8 C LIG 1 -0.133 -4.492 -0.170 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.284 -1.511 2.065 0.00 0.00 +0.050 A ATOM 10 C LIG 1 0.338 -0.487 2.801 0.00 0.00 +0.027 A ATOM 11 C LIG 1 1.734 -0.412 2.785 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 4.656 -1.646 0.971 0.00 0.00 -0.307 N ATOM 13 H LIG 1 4.134 -1.839 0.129 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 3.978 -1.188 2.081 0.00 0.00 +0.244 C ATOM 15 O LIG 1 4.529 -0.665 3.044 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 6.082 -1.460 0.830 0.00 0.00 +0.140 C BRANCH 16 21 ATOM 17 C LIG 1 6.964 0.651 -2.231 0.00 0.00 +0.162 A ATOM 18 C LIG 1 6.912 1.937 -1.674 0.00 0.00 +0.158 A ATOM 19 C LIG 1 6.594 2.127 -0.330 0.00 0.00 +0.049 A ATOM 20 C LIG 1 6.329 1.023 0.478 0.00 0.00 +0.009 A ATOM 21 C LIG 1 6.386 -0.274 -0.050 0.00 0.00 -0.027 A ATOM 22 C LIG 1 6.699 -0.450 -1.409 0.00 0.00 +0.054 A BRANCH 17 24 ATOM 23 C LIG 1 7.240 -0.698 -4.180 0.00 0.00 +0.277 C ATOM 24 O LIG 1 7.282 0.581 -3.562 0.00 0.00 -0.491 OA ENDBRANCH 17 24 BRANCH 18 25 ATOM 25 O LIG 1 7.173 3.022 -2.469 0.00 0.00 -0.503 OA ATOM 26 H LIG 1 7.089 3.828 -1.938 0.00 0.00 +0.292 HD ENDBRANCH 18 25 ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 27 ATOM 27 C LIG 1 -2.731 -1.122 2.540 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.510 -0.249 1.586 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -4.911 -0.315 1.566 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -5.653 0.513 0.719 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -5.017 1.436 -0.120 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -3.617 1.507 -0.095 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -2.873 0.680 0.752 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -5.796 2.299 -1.018 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -6.047 3.662 -0.762 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -6.764 4.438 -1.690 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -7.240 3.869 -2.871 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.005 2.524 -3.133 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -6.290 1.748 -2.218 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -5.605 4.304 0.501 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -5.581 3.816 1.613 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -5.201 5.571 0.290 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -4.923 5.872 1.181 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 10