REMARK Name = BDB043067 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -0.648 -0.584 0.282 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.022 -0.101 -0.004 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -2.128 0.871 0.292 0.00 0.00 +0.147 HD BRANCH 2 6 ATOM 4 C LIG 1 -5.553 -0.922 0.749 0.00 0.00 +0.024 A ATOM 5 C LIG 1 -4.382 -0.214 0.443 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -3.135 -0.857 0.388 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -3.108 -2.242 0.595 0.00 0.00 +0.023 A ATOM 8 C LIG 1 -4.269 -2.950 0.927 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -5.490 -2.289 1.017 0.00 0.00 +0.012 A BRANCH 4 11 ATOM 10 O LIG 1 -7.675 -0.611 1.688 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -6.871 -0.245 0.834 0.00 0.00 +0.193 C BRANCH 11 12 ATOM 12 C LIG 1 -7.240 0.860 -0.087 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -8.081 1.873 0.390 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -8.459 2.922 -0.449 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -8.008 2.957 -1.768 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.187 1.939 -2.254 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.806 0.887 -1.419 0.00 0.00 +0.012 A ENDBRANCH 11 12 ENDBRANCH 4 11 ENDBRANCH 2 6 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -0.358 -0.486 1.782 0.00 0.00 +0.326 C ATOM 19 O LIG 1 -0.406 0.530 2.461 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 -0.044 -1.671 2.345 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 0.082 -1.459 3.294 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 0.351 0.306 -0.481 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 1.772 -0.204 -0.424 0.00 0.00 -0.045 A ATOM 24 C LIG 1 2.695 0.355 0.467 0.00 0.00 +0.007 A ATOM 25 C LIG 1 4.007 -0.128 0.534 0.00 0.00 +0.046 A ATOM 26 C LIG 1 4.409 -1.182 -0.284 0.00 0.00 +0.121 A ATOM 27 C LIG 1 3.493 -1.734 -1.182 0.00 0.00 +0.046 A ATOM 28 C LIG 1 2.183 -1.255 -1.252 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 5.657 -1.740 -0.328 0.00 0.00 -0.487 OA BRANCH 29 30 ATOM 30 C LIG 1 6.564 -1.453 0.741 0.00 0.00 +0.264 C BRANCH 30 31 ATOM 31 C LIG 1 7.374 -0.194 0.528 0.00 0.00 -0.010 A ATOM 32 C LIG 1 7.859 0.518 1.636 0.00 0.00 +0.007 A ATOM 33 C LIG 1 8.633 1.667 1.459 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.938 2.111 0.175 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.476 1.406 -0.934 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.703 0.256 -0.759 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 11