REMARK Name = BDB057565 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.301 0.524 -1.990 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.522 0.324 -3.492 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -2.473 1.173 -4.371 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -2.804 -0.958 -3.819 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -2.962 -0.931 -4.784 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.536 0.284 -1.202 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.288 -0.067 -0.267 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.593 1.198 -1.089 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -5.464 1.140 0.029 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -6.554 2.017 0.157 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -6.835 2.929 -0.855 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -6.030 2.962 -1.988 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -4.932 2.100 -2.105 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -5.193 0.176 1.130 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -4.037 0.029 1.527 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.286 -0.620 1.747 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -7.410 -1.018 1.016 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -8.408 -1.779 1.631 0.00 0.00 +0.006 A ATOM 19 C LIG 1 -8.294 -2.152 2.977 0.00 0.00 -0.022 A ATOM 20 C LIG 1 -7.151 -1.775 3.694 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -6.152 -1.014 3.083 0.00 0.00 +0.012 A BRANCH 19 22 ATOM 22 C LIG 1 -9.355 -3.003 3.622 0.00 0.00 +0.191 C BRANCH 22 23 ATOM 23 O LIG 1 -9.133 -4.378 3.340 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 -8.249 -4.464 2.942 0.00 0.00 +0.210 HD ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 25 ATOM 25 C LIG 1 -1.638 1.871 -1.649 0.00 0.00 +0.068 C BRANCH 25 29 ATOM 26 C LIG 1 2.654 1.755 -2.224 0.00 0.00 +0.121 A ATOM 27 C LIG 1 2.093 1.356 -1.012 0.00 0.00 +0.046 A ATOM 28 C LIG 1 0.706 1.400 -0.827 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -0.138 1.847 -1.852 0.00 0.00 -0.045 A ATOM 30 C LIG 1 0.428 2.245 -3.067 0.00 0.00 +0.007 A ATOM 31 C LIG 1 1.812 2.197 -3.247 0.00 0.00 +0.046 A BRANCH 26 32 ATOM 32 O LIG 1 3.982 1.755 -2.544 0.00 0.00 -0.492 OA BRANCH 32 33 ATOM 33 C LIG 1 4.931 1.374 -1.545 0.00 0.00 +0.235 C BRANCH 33 34 ATOM 34 C LIG 1 5.139 -0.139 -1.540 0.00 0.00 +0.100 C BRANCH 34 37 ATOM 35 C LIG 1 4.410 -1.588 1.415 0.00 0.00 +0.088 C ATOM 36 C LIG 1 5.670 -1.168 0.778 0.00 0.00 +0.126 A ATOM 37 C LIG 1 6.008 -0.577 -0.421 0.00 0.00 +0.086 A ATOM 38 N LIG 1 7.372 -0.403 -0.477 0.00 0.00 -0.214 NA ATOM 39 C LIG 1 7.813 -0.889 0.669 0.00 0.00 +0.228 A ATOM 40 O LIG 1 6.821 -1.367 1.486 0.00 0.00 -0.440 OA BRANCH 39 41 ATOM 41 C LIG 1 9.182 -0.979 1.170 0.00 0.00 +0.037 A ATOM 42 C LIG 1 10.243 -0.518 0.374 0.00 0.00 +0.013 A ATOM 43 C LIG 1 11.563 -0.592 0.826 0.00 0.00 +0.001 A ATOM 44 C LIG 1 11.840 -1.127 2.082 0.00 0.00 +0.000 A ATOM 45 C LIG 1 10.799 -1.589 2.885 0.00 0.00 +0.001 A ATOM 46 C LIG 1 9.479 -1.516 2.432 0.00 0.00 +0.013 A ENDBRANCH 39 41 ENDBRANCH 34 37 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 25 29 ENDBRANCH 1 25 TORSDOF 15