REMARK Name = BDB045795 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.268 -2.869 -2.148 0.00 0.00 +0.058 A ATOM 2 C LIG 1 -0.090 -3.195 -1.921 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.597 -4.369 -2.491 0.00 0.00 +0.024 A ATOM 4 C LIG 1 0.210 -5.191 -3.283 0.00 0.00 +0.002 A ATOM 5 C LIG 1 1.536 -4.849 -3.530 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.065 -3.689 -2.969 0.00 0.00 +0.015 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 3.185 -1.785 -1.119 0.00 0.00 -0.281 N ATOM 8 H LIG 1 3.576 -2.719 -1.135 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 1.871 -1.647 -1.530 0.00 0.00 +0.250 C ATOM 10 O LIG 1 1.161 -0.657 -1.376 0.00 0.00 -0.270 OA BRANCH 7 13 ATOM 11 C LIG 1 4.564 1.507 0.046 0.00 0.00 -0.035 A ATOM 12 C LIG 1 3.680 0.564 -0.507 0.00 0.00 +0.027 A ATOM 13 C LIG 1 4.020 -0.789 -0.570 0.00 0.00 +0.034 A ATOM 14 C LIG 1 5.268 -1.197 -0.085 0.00 0.00 +0.023 A ATOM 15 C LIG 1 6.156 -0.269 0.463 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.806 1.077 0.530 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 4.184 2.968 0.102 0.00 0.00 +0.155 C BRANCH 17 19 ATOM 18 O LIG 1 5.779 3.502 -1.673 0.00 0.00 -0.251 OA ATOM 19 C LIG 1 4.856 3.834 -0.945 0.00 0.00 +0.309 C BRANCH 19 20 ATOM 20 O LIG 1 4.339 5.089 -0.983 0.00 0.00 -0.480 OA ATOM 21 H LIG 1 3.607 5.240 -0.355 0.00 0.00 +0.295 HD ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 7 13 ENDBRANCH 1 9 BRANCH 2 22 ATOM 22 N LIG 1 -0.893 -2.319 -1.150 0.00 0.00 -0.281 N ATOM 23 H LIG 1 -0.423 -1.455 -0.876 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 -2.196 -2.495 -0.731 0.00 0.00 +0.248 C ATOM 25 O LIG 1 -2.869 -3.512 -0.855 0.00 0.00 -0.270 OA BRANCH 24 26 ATOM 26 C LIG 1 -2.800 -1.327 -0.022 0.00 0.00 +0.037 A ATOM 27 C LIG 1 -2.437 -0.006 -0.311 0.00 0.00 +0.013 A ATOM 28 C LIG 1 -3.037 1.054 0.379 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -4.014 0.823 1.362 0.00 0.00 -0.018 A ATOM 30 C LIG 1 -4.380 -0.506 1.629 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -3.784 -1.570 0.943 0.00 0.00 +0.013 A BRANCH 29 32 ATOM 32 C LIG 1 -4.642 1.941 2.083 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -6.039 2.090 2.113 0.00 0.00 +0.008 A ATOM 34 C LIG 1 -6.636 3.152 2.797 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.846 4.084 3.464 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.460 3.955 3.448 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -3.864 2.893 2.763 0.00 0.00 +0.008 A ENDBRANCH 29 32 ENDBRANCH 24 26 ENDBRANCH 2 22 TORSDOF 8