REMARK Name = BDB009302 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.453 0.762 -1.156 0.00 0.00 +0.087 A ATOM 2 C LIG 1 1.685 0.270 -0.442 0.00 0.00 +0.059 A ATOM 3 N LIG 1 2.058 -1.072 -0.447 0.00 0.00 -0.342 N ATOM 4 H LIG 1 1.781 -1.577 -1.284 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 3.374 -1.470 0.049 0.00 0.00 +0.102 C ATOM 6 C LIG 1 3.716 -0.660 1.295 0.00 0.00 +0.023 C ATOM 7 C LIG 1 3.619 0.845 1.015 0.00 0.00 +0.044 C ATOM 8 C LIG 1 2.397 1.201 0.214 0.00 0.00 +0.041 A ATOM 9 C LIG 1 2.014 2.629 0.145 0.00 0.00 +0.270 A ATOM 10 O LIG 1 2.658 3.498 0.723 0.00 0.00 -0.266 OA ATOM 11 N LIG 1 0.917 2.920 -0.620 0.00 0.00 -0.243 N ATOM 12 H LIG 1 0.632 3.893 -0.670 0.00 0.00 +0.192 HD ATOM 13 N LIG 1 0.114 2.016 -1.243 0.00 0.00 -0.174 NA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -0.496 -0.245 -1.792 0.00 0.00 +0.094 C BRANCH 14 20 ATOM 15 C LIG 1 -3.742 -0.332 0.231 0.00 0.00 +0.094 A ATOM 16 C LIG 1 -3.554 -1.492 0.980 0.00 0.00 +0.137 A ATOM 17 F LIG 1 -4.477 -1.917 1.854 0.00 0.00 -0.205 F ATOM 18 C LIG 1 -2.393 -2.250 0.840 0.00 0.00 +0.039 A ATOM 19 C LIG 1 -1.403 -1.855 -0.060 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -1.571 -0.698 -0.831 0.00 0.00 -0.041 A ATOM 21 C LIG 1 -2.742 0.064 -0.673 0.00 0.00 +0.022 A BRANCH 15 23 ATOM 22 O LIG 1 -5.875 0.255 1.214 0.00 0.00 -0.245 OA ATOM 23 C LIG 1 -4.983 0.455 0.412 0.00 0.00 +0.340 C BRANCH 23 24 ATOM 24 O LIG 1 -5.064 1.487 -0.451 0.00 0.00 -0.477 OA ATOM 25 H LIG 1 -5.917 1.912 -0.219 0.00 0.00 +0.295 HD ENDBRANCH 23 24 ENDBRANCH 15 23 ENDBRANCH 14 20 ENDBRANCH 1 14 TORSDOF 4