REMARK Name = BDB057468 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.381 -0.243 -0.854 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.729 -0.183 -0.248 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -3.114 -1.138 -0.137 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -5.104 0.341 -0.521 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.744 0.616 -0.810 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -3.468 1.782 -1.540 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -4.495 2.589 -2.044 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -5.825 2.263 -1.810 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -6.133 1.141 -1.046 0.00 0.00 +0.013 A BRANCH 4 11 ATOM 10 O LIG 1 -4.852 -1.894 0.180 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -5.465 -0.837 0.318 0.00 0.00 +0.195 C BRANCH 11 12 ATOM 12 C LIG 1 -6.548 -0.757 1.332 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -7.309 -1.903 1.589 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -8.328 -1.867 2.541 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -8.581 -0.691 3.247 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.811 0.448 3.010 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.790 0.416 2.057 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 -1.408 -0.874 -2.260 0.00 0.00 +0.326 C ATOM 19 O LIG 1 -2.195 -1.736 -2.628 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 -0.434 -0.412 -3.087 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 0.203 0.198 -2.664 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 -0.476 -1.094 0.059 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 0.993 -0.914 -0.252 0.00 0.00 -0.045 A ATOM 24 C LIG 1 1.681 -1.865 -1.016 0.00 0.00 +0.007 A ATOM 25 C LIG 1 3.027 -1.675 -1.345 0.00 0.00 +0.046 A ATOM 26 C LIG 1 3.698 -0.535 -0.908 0.00 0.00 +0.121 A ATOM 27 C LIG 1 3.014 0.418 -0.153 0.00 0.00 +0.046 A ATOM 28 C LIG 1 1.672 0.231 0.181 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 5.002 -0.230 -1.175 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 5.856 -1.314 -1.536 0.00 0.00 +0.229 C BRANCH 30 31 ATOM 31 C LIG 1 7.312 -0.855 -1.431 0.00 0.00 +0.046 C BRANCH 31 32 ATOM 32 C LIG 1 7.823 -0.750 0.014 0.00 0.00 +0.038 C BRANCH 32 33 ATOM 33 C LIG 1 7.183 0.335 0.842 0.00 0.00 -0.044 A ATOM 34 C LIG 1 7.400 1.684 0.551 0.00 0.00 +0.023 A ATOM 35 C LIG 1 6.772 2.643 1.332 0.00 0.00 +0.111 A ATOM 36 N LIG 1 5.957 2.356 2.370 0.00 0.00 -0.263 NA ATOM 37 C LIG 1 5.766 1.046 2.638 0.00 0.00 +0.111 A ATOM 38 C LIG 1 6.349 0.015 1.916 0.00 0.00 +0.023 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 13