REMARK Name = BDB063775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.417 -0.272 -0.308 0.00 0.00 +0.221 C ATOM 2 N LIG 1 -1.671 -0.675 0.172 0.00 0.00 -0.257 N ATOM 3 O LIG 1 -0.270 0.180 -1.446 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -1.902 -0.993 1.541 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -1.659 -0.039 2.540 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -1.893 -0.338 3.886 0.00 0.00 +0.022 A ATOM 7 C LIG 1 -2.357 -1.600 4.245 0.00 0.00 +0.041 A ATOM 8 CL LIG 1 -2.651 -1.966 5.898 0.00 0.00 -0.084 Cl ATOM 9 C LIG 1 -2.574 -2.567 3.269 0.00 0.00 +0.022 A ATOM 10 C LIG 1 -2.339 -2.266 1.923 0.00 0.00 +0.025 A ENDBRANCH 2 4 BRANCH 1 11 ATOM 11 C LIG 1 0.783 -0.435 0.614 0.00 0.00 +0.105 C BRANCH 11 12 ATOM 12 C LIG 1 2.095 -0.349 -0.165 0.00 0.00 +0.105 C BRANCH 12 17 ATOM 13 N LIG 1 7.271 0.268 -0.922 0.00 0.00 -0.300 NA ATOM 14 C LIG 1 6.838 0.574 0.460 0.00 0.00 +0.103 C ATOM 15 C LIG 1 5.745 -0.367 0.998 0.00 0.00 +0.123 C ATOM 16 N LIG 1 4.543 -0.322 0.161 0.00 0.00 -0.299 N ATOM 17 C LIG 1 3.298 -0.467 0.752 0.00 0.00 +0.216 C ATOM 18 O LIG 1 3.163 -0.674 1.958 0.00 0.00 -0.276 OA ATOM 19 C LIG 1 4.768 -0.073 -1.267 0.00 0.00 +0.123 C ATOM 20 C LIG 1 6.209 -0.400 -1.702 0.00 0.00 +0.103 C BRANCH 13 22 ATOM 21 C LIG 1 9.031 2.040 -0.940 0.00 0.00 +0.020 C ATOM 22 C LIG 1 7.797 1.451 -1.617 0.00 0.00 +0.081 C ENDBRANCH 13 22 ENDBRANCH 12 17 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 2 23 ATOM 23 C LIG 1 -2.799 -0.678 -0.807 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C LIG 1 -3.335 0.718 -1.188 0.00 0.00 -0.001 A ATOM 25 C LIG 1 -3.952 0.946 -2.440 0.00 0.00 +0.049 A ATOM 26 CL LIG 1 -4.145 -0.307 -3.618 0.00 0.00 -0.083 Cl ATOM 27 C LIG 1 -4.451 2.205 -2.783 0.00 0.00 +0.058 A ATOM 28 C LIG 1 -4.341 3.252 -1.883 0.00 0.00 +0.125 A ATOM 29 F LIG 1 -4.820 4.459 -2.210 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -3.743 3.067 -0.646 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -3.244 1.809 -0.301 0.00 0.00 +0.010 A ENDBRANCH 23 24 BRANCH 23 32 ATOM 32 C LIG 1 -3.906 -1.742 -0.624 0.00 0.00 +0.188 C ATOM 33 O LIG 1 -3.700 -2.942 -0.825 0.00 0.00 -0.290 OA BRANCH 32 34 ATOM 34 C LIG 1 -5.274 -1.358 -0.183 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -5.495 -0.500 0.898 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -6.802 -0.177 1.275 0.00 0.00 +0.020 A ATOM 37 C LIG 1 -7.881 -0.723 0.580 0.00 0.00 +0.041 A ATOM 38 CL LIG 1 -9.487 -0.320 1.047 0.00 0.00 -0.084 Cl ATOM 39 C LIG 1 -7.668 -1.597 -0.484 0.00 0.00 +0.020 A ATOM 40 C LIG 1 -6.363 -1.921 -0.861 0.00 0.00 +0.013 A ENDBRANCH 32 34 ENDBRANCH 23 32 ENDBRANCH 2 23 TORSDOF 9