REMARK Name = BDB027500 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.004 0.299 0.002 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.658 1.459 0.455 0.00 0.00 +0.059 A ATOM 3 C LIG 1 -1.801 1.264 1.240 0.00 0.00 +0.135 A ATOM 4 N LIG 1 -2.363 0.064 1.524 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.774 -1.043 1.024 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -0.614 -0.952 0.257 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.436 -2.325 1.349 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.718 -3.528 1.478 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -2.373 -4.721 1.784 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -1.657 -5.849 1.896 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -3.747 -4.746 1.974 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -4.370 -5.895 2.267 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.485 -3.576 1.865 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.832 -2.378 1.558 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 -0.278 2.800 0.098 0.00 0.00 -0.268 N ATOM 16 C LIG 1 -0.311 3.811 1.064 0.00 0.00 +0.237 C ATOM 17 O LIG 1 -0.448 3.583 2.270 0.00 0.00 -0.274 OA ATOM 18 C LIG 1 -0.296 5.283 0.581 0.00 0.00 +0.138 C ATOM 19 C LIG 1 0.168 5.490 -0.854 0.00 0.00 +0.029 C ATOM 20 C LIG 1 -0.414 4.434 -1.774 0.00 0.00 +0.021 C ATOM 21 C LIG 1 0.071 3.075 -1.297 0.00 0.00 +0.114 C BRANCH 18 22 ATOM 22 N LIG 1 -1.652 5.843 0.763 0.00 0.00 -0.320 NA ATOM 23 H LIG 1 -1.893 5.748 1.754 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 -2.335 5.272 0.267 0.00 0.00 +0.119 HD ENDBRANCH 18 22 ENDBRANCH 2 15 BRANCH 1 25 ATOM 25 C LIG 1 1.335 0.340 -0.702 0.00 0.00 +0.161 C BRANCH 25 30 ATOM 26 C LIG 1 3.996 -3.707 -0.868 0.00 0.00 +0.147 A ATOM 27 C LIG 1 3.475 -2.530 -0.305 0.00 0.00 +0.147 A ATOM 28 N LIG 1 3.664 -1.915 0.917 0.00 0.00 -0.231 NA ATOM 29 C LIG 1 2.907 -0.838 0.874 0.00 0.00 +0.202 A ATOM 30 N LIG 1 2.229 -0.740 -0.313 0.00 0.00 -0.310 N ATOM 31 C LIG 1 2.579 -1.814 -1.082 0.00 0.00 +0.166 A ATOM 32 N LIG 1 2.141 -2.122 -2.314 0.00 0.00 -0.216 NA ATOM 33 C LIG 1 2.700 -3.272 -2.745 0.00 0.00 +0.225 A ATOM 34 N LIG 1 3.578 -4.071 -2.102 0.00 0.00 -0.219 NA BRANCH 26 35 ATOM 35 N LIG 1 4.904 -4.527 -0.212 0.00 0.00 -0.341 N ATOM 36 H LIG 1 4.892 -5.474 -0.567 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 4.914 -4.399 0.794 0.00 0.00 +0.144 HD ENDBRANCH 26 35 ENDBRANCH 25 30 ENDBRANCH 1 25 TORSDOF 6