REMARK Name = BDB057481 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.649 -0.987 2.691 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.404 -0.514 1.512 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -1.970 0.309 1.074 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -3.215 -0.895 -0.759 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.825 -1.397 0.506 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -3.021 -2.767 0.735 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -3.503 -3.616 -0.269 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -3.824 -3.111 -1.525 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -3.682 -1.749 -1.773 0.00 0.00 +0.013 A BRANCH 4 11 ATOM 10 O LIG 1 -2.073 1.160 -0.714 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -3.091 0.559 -1.053 0.00 0.00 +0.195 C BRANCH 11 12 ATOM 12 C LIG 1 -4.182 1.298 -1.741 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -5.527 0.950 -1.570 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -6.523 1.676 -2.228 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -6.179 2.752 -3.046 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -4.841 3.113 -3.202 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -3.843 2.392 -2.546 0.00 0.00 +0.012 A ENDBRANCH 11 12 ENDBRANCH 4 11 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -2.607 -1.369 3.823 0.00 0.00 +0.326 C ATOM 19 O LIG 1 -3.501 -0.691 4.307 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 -2.361 -2.600 4.326 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 -3.048 -2.698 5.020 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 -0.739 0.129 3.244 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 0.551 0.278 2.467 0.00 0.00 -0.045 A ATOM 24 C LIG 1 1.646 -0.550 2.747 0.00 0.00 +0.007 A ATOM 25 C LIG 1 2.838 -0.431 2.023 0.00 0.00 +0.046 A ATOM 26 C LIG 1 2.949 0.517 1.006 0.00 0.00 +0.121 A ATOM 27 C LIG 1 1.859 1.343 0.726 0.00 0.00 +0.046 A ATOM 28 C LIG 1 0.669 1.228 1.448 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 4.048 0.737 0.224 0.00 0.00 -0.487 OA BRANCH 29 30 ATOM 30 C LIG 1 5.178 -0.106 0.438 0.00 0.00 +0.264 C BRANCH 30 31 ATOM 31 C LIG 1 6.250 0.252 -0.565 0.00 0.00 -0.009 A ATOM 32 C LIG 1 7.549 0.573 -0.143 0.00 0.00 +0.021 A ATOM 33 C LIG 1 8.536 0.881 -1.082 0.00 0.00 +0.014 A ATOM 34 I LIG 1 10.456 1.359 -0.440 0.00 0.00 -0.044 I ATOM 35 C LIG 1 8.245 0.870 -2.445 0.00 0.00 +0.014 A ATOM 36 C LIG 1 6.958 0.547 -2.873 0.00 0.00 +0.001 A ATOM 37 C LIG 1 5.967 0.238 -1.940 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 11