REMARK Name = BDB044751 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.722 -2.082 0.158 0.00 0.00 -0.045 A ATOM 2 C LIG 1 -2.257 -0.954 -0.524 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -0.901 -0.620 -0.491 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.012 -1.411 0.208 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -0.447 -2.530 0.900 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -1.806 -2.866 0.872 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -4.193 -2.435 0.146 0.00 0.00 +0.068 C BRANCH 7 8 ATOM 8 CA LIG 1 -4.923 -1.988 1.419 0.00 0.00 +0.184 C BRANCH 8 9 ATOM 9 N LIG 1 -4.955 -0.503 1.621 0.00 0.00 -0.335 N ATOM 10 H LIG 1 -4.083 -0.209 2.078 0.00 0.00 +0.147 HD BRANCH 9 12 ATOM 11 C LIG 1 -4.747 1.844 0.951 0.00 0.00 +0.060 C ATOM 12 C LIG 1 -5.353 0.474 0.692 0.00 0.00 +0.005 C ATOM 13 C LIG 1 -6.232 0.264 -0.310 0.00 0.00 +0.069 C BRANCH 13 14 ATOM 14 C LIG 1 -6.604 1.273 -1.341 0.00 0.00 +0.187 C ATOM 15 O LIG 1 -5.780 2.061 -1.793 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -7.998 1.242 -1.869 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -9.056 0.649 -1.166 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -10.347 0.659 -1.703 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -10.587 1.260 -2.938 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -9.542 1.863 -3.637 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -8.252 1.858 -3.103 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 9 12 ENDBRANCH 8 9 BRANCH 8 22 ATOM 22 C LIG 1 -6.342 -2.566 1.509 0.00 0.00 +0.326 C ATOM 23 O LIG 1 -6.688 -3.670 1.116 0.00 0.00 -0.249 OA BRANCH 22 24 ATOM 24 OXT LIG 1 -7.190 -1.705 2.137 0.00 0.00 -0.479 OA ATOM 25 HXT LIG 1 -6.673 -0.876 2.304 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 8 22 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 26 ATOM 26 O LIG 1 1.303 -0.968 0.158 0.00 0.00 -0.489 OA BRANCH 26 27 ATOM 27 C LIG 1 2.352 -1.891 0.475 0.00 0.00 +0.270 C BRANCH 27 28 ATOM 28 C LIG 1 2.828 -1.705 1.921 0.00 0.00 +0.270 C BRANCH 28 29 ATOM 29 O LIG 1 3.409 -0.414 2.147 0.00 0.00 -0.489 OA BRANCH 29 30 ATOM 30 C LIG 1 4.623 -0.173 1.567 0.00 0.00 +0.121 A ATOM 31 C LIG 1 5.656 -1.104 1.462 0.00 0.00 +0.048 A ATOM 32 C LIG 1 6.859 -0.742 0.846 0.00 0.00 +0.033 A ATOM 33 C LIG 1 7.050 0.554 0.352 0.00 0.00 +0.086 A ATOM 34 C LIG 1 6.016 1.484 0.478 0.00 0.00 +0.033 A ATOM 35 C LIG 1 4.813 1.126 1.092 0.00 0.00 +0.048 A BRANCH 33 36 ATOM 36 N LIG 1 8.241 0.906 -0.304 0.00 0.00 -0.149 NA ATOM 37 N LIG 1 9.128 1.182 0.534 0.00 0.00 -0.149 NA BRANCH 37 38 ATOM 38 C LIG 1 10.333 1.528 -0.108 0.00 0.00 +0.086 A ATOM 39 C LIG 1 10.413 2.584 -1.027 0.00 0.00 +0.029 A ATOM 40 C LIG 1 11.630 2.914 -1.629 0.00 0.00 +0.002 A ATOM 41 C LIG 1 12.782 2.198 -1.308 0.00 0.00 +0.000 A ATOM 42 C LIG 1 12.719 1.158 -0.380 0.00 0.00 +0.002 A ATOM 43 C LIG 1 11.501 0.829 0.218 0.00 0.00 +0.029 A ENDBRANCH 37 38 ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 15