REMARK Name = BDB034286 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.189 0.035 -0.369 0.00 0.00 -0.294 NA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -4.020 0.258 0.831 0.00 0.00 +0.123 C BRANCH 2 4 ATOM 3 C LIG 1 -3.402 1.188 3.142 0.00 0.00 +0.156 A ATOM 4 C LIG 1 -3.472 1.334 1.749 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -3.022 2.549 1.195 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -2.483 3.547 2.003 0.00 0.00 +0.127 A ATOM 7 F LIG 1 -2.049 4.683 1.444 0.00 0.00 -0.205 F ATOM 8 C LIG 1 -2.385 3.381 3.375 0.00 0.00 +0.080 A ATOM 9 C LIG 1 -2.847 2.199 3.936 0.00 0.00 +0.168 A ATOM 10 F LIG 1 -2.772 2.045 5.266 0.00 0.00 -0.202 F BRANCH 3 11 ATOM 11 O LIG 1 -3.854 0.068 3.783 0.00 0.00 -0.504 OA ATOM 12 H LIG 1 -4.660 -0.246 3.346 0.00 0.00 +0.292 HD ENDBRANCH 3 11 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 13 ATOM 13 C LIG 1 -3.963 -0.739 -1.362 0.00 0.00 +0.120 C BRANCH 13 14 ATOM 14 C LIG 1 -3.338 -0.764 -2.739 0.00 0.00 -0.033 A ATOM 15 C LIG 1 -3.247 0.413 -3.497 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -2.673 0.396 -4.769 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -2.186 -0.798 -5.297 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -2.271 -1.975 -4.554 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -2.845 -1.959 -3.282 0.00 0.00 +0.005 A ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 1 20 ATOM 20 C LIG 1 -1.921 -0.642 -0.019 0.00 0.00 +0.085 C BRANCH 20 21 ATOM 21 C LIG 1 -0.736 0.047 -0.704 0.00 0.00 +0.017 C BRANCH 21 22 ATOM 22 C LIG 1 0.587 -0.617 -0.317 0.00 0.00 +0.020 C BRANCH 22 23 ATOM 23 C LIG 1 1.767 0.071 -1.003 0.00 0.00 +0.101 C BRANCH 23 24 ATOM 24 N LIG 1 3.023 -0.574 -0.631 0.00 0.00 -0.343 N ATOM 25 H LIG 1 3.641 -0.679 -1.433 0.00 0.00 +0.146 HD BRANCH 24 26 ATOM 26 C LIG 1 3.754 -0.198 0.512 0.00 0.00 +0.038 A ATOM 27 C LIG 1 5.025 -0.793 0.769 0.00 0.00 +0.021 A ATOM 28 C LIG 1 5.721 -0.399 1.939 0.00 0.00 +0.074 A ATOM 29 C LIG 1 6.969 -0.941 2.208 0.00 0.00 +0.048 A ATOM 30 C LIG 1 7.549 -1.879 1.359 0.00 0.00 +0.043 A ATOM 31 C LIG 1 6.882 -2.299 0.219 0.00 0.00 +0.021 A ATOM 32 CL LIG 1 9.098 -2.531 1.731 0.00 0.00 -0.083 Cl ATOM 33 N LIG 1 5.226 0.478 2.821 0.00 0.00 -0.255 NA ATOM 34 C LIG 1 4.001 0.981 2.585 0.00 0.00 +0.113 A ATOM 35 C LIG 1 5.628 -1.762 -0.072 0.00 0.00 +0.013 A ATOM 36 C LIG 1 3.238 0.670 1.475 0.00 0.00 +0.043 A ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 11