REMARK Name = BDB057562 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.162 -1.826 -1.050 0.00 0.00 -0.045 A ATOM 2 C LIG 1 -0.347 -0.705 -0.847 0.00 0.00 +0.007 A ATOM 3 C LIG 1 1.005 -0.855 -0.514 0.00 0.00 +0.046 A ATOM 4 C LIG 1 1.556 -2.128 -0.376 0.00 0.00 +0.121 A ATOM 5 C LIG 1 0.745 -3.246 -0.580 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -0.603 -3.100 -0.915 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -2.629 -1.654 -1.389 0.00 0.00 +0.068 C BRANCH 7 8 ATOM 8 CA LIG 1 -3.505 -1.456 -0.138 0.00 0.00 +0.184 C BRANCH 8 9 ATOM 9 N LIG 1 -4.662 -0.562 -0.404 0.00 0.00 -0.331 N ATOM 10 H LIG 1 -4.885 -0.029 0.445 0.00 0.00 +0.147 HD BRANCH 9 12 ATOM 11 C LIG 1 -7.037 -0.173 -0.889 0.00 0.00 +0.080 A ATOM 12 C LIG 1 -5.861 -0.960 -1.013 0.00 0.00 +0.042 A ATOM 13 C LIG 1 -5.926 -2.052 -1.894 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -7.101 -2.386 -2.581 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -8.244 -1.615 -2.430 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -8.211 -0.506 -1.593 0.00 0.00 +0.017 A BRANCH 11 17 ATOM 17 C LIG 1 -7.137 1.046 -0.036 0.00 0.00 +0.341 C ATOM 18 O LIG 1 -7.909 1.966 -0.263 0.00 0.00 -0.245 OA BRANCH 17 19 ATOM 19 O LIG 1 -6.314 0.950 1.042 0.00 0.00 -0.461 OA BRANCH 19 20 ATOM 20 C LIG 1 -6.367 2.049 1.967 0.00 0.00 +0.232 C BRANCH 20 22 ATOM 21 C LIG 1 -5.368 4.296 2.512 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -5.387 3.134 1.535 0.00 0.00 +0.038 C ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 9 12 ENDBRANCH 8 9 BRANCH 8 23 ATOM 23 C LIG 1 -3.921 -2.724 0.617 0.00 0.00 +0.326 C ATOM 24 O LIG 1 -4.438 -2.747 1.727 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 OXT LIG 1 -3.723 -3.885 -0.039 0.00 0.00 -0.479 OA ATOM 26 HXT LIG 1 -4.086 -4.556 0.577 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 8 23 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 27 ATOM 27 O LIG 1 2.852 -2.415 -0.049 0.00 0.00 -0.492 OA BRANCH 27 28 ATOM 28 C LIG 1 3.730 -1.306 0.161 0.00 0.00 +0.235 C BRANCH 28 29 ATOM 29 C LIG 1 5.108 -1.856 0.520 0.00 0.00 +0.100 C BRANCH 29 30 ATOM 30 C LIG 1 6.071 -0.777 0.850 0.00 0.00 +0.086 A ATOM 31 C LIG 1 6.591 -0.401 2.070 0.00 0.00 +0.126 A ATOM 32 C LIG 1 6.438 -0.868 3.458 0.00 0.00 +0.088 C ATOM 33 O LIG 1 7.430 0.656 1.860 0.00 0.00 -0.440 OA ATOM 34 C LIG 1 7.383 0.868 0.505 0.00 0.00 +0.228 A ATOM 35 N LIG 1 6.581 0.037 -0.137 0.00 0.00 -0.214 NA BRANCH 34 36 ATOM 36 C LIG 1 8.202 1.954 -0.024 0.00 0.00 +0.037 A ATOM 37 C LIG 1 8.212 2.205 -1.405 0.00 0.00 +0.013 A ATOM 38 C LIG 1 8.985 3.238 -1.941 0.00 0.00 +0.001 A ATOM 39 C LIG 1 9.759 4.036 -1.102 0.00 0.00 +0.000 A ATOM 40 C LIG 1 9.762 3.801 0.272 0.00 0.00 +0.001 A ATOM 41 C LIG 1 8.989 2.767 0.807 0.00 0.00 +0.013 A ENDBRANCH 34 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 15