REMARK Name = BDB065263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.133 0.803 0.131 0.00 0.00 -0.323 N ATOM 2 C LIG 1 1.446 0.477 -0.197 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.673 -0.743 0.427 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.925 -1.368 0.324 0.00 0.00 +0.038 A ATOM 5 C LIG 1 3.936 -0.745 -0.420 0.00 0.00 -0.011 A ATOM 6 C LIG 1 3.687 0.479 -1.051 0.00 0.00 +0.011 A ATOM 7 N LIG 1 0.556 -1.165 1.083 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 2.441 1.114 -0.953 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.383 -0.266 0.848 0.00 0.00 +0.132 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 5.236 -1.370 -0.548 0.00 0.00 +0.047 A ATOM 11 C LIG 1 6.057 -1.710 0.505 0.00 0.00 +0.142 A ATOM 12 C LIG 1 5.966 -1.602 1.974 0.00 0.00 +0.090 C ATOM 13 O LIG 1 7.204 -2.258 0.019 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 7.160 -2.281 -1.362 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 5.977 -1.753 -1.698 0.00 0.00 +0.088 A ATOM 16 C LIG 1 5.596 -1.640 -3.125 0.00 0.00 +0.070 C ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 C LIG 1 -1.794 -0.420 1.343 0.00 0.00 +0.151 C ATOM 18 N LIG 1 -2.215 -1.820 1.315 0.00 0.00 -0.258 N ATOM 19 C LIG 1 -2.034 -2.412 2.586 0.00 0.00 +0.255 C ATOM 20 O LIG 1 -2.250 -3.565 2.928 0.00 0.00 -0.272 OA ATOM 21 C LIG 1 -1.496 -1.345 3.518 0.00 0.00 +0.254 C ATOM 22 F LIG 1 -2.059 -1.355 4.757 0.00 0.00 -0.236 F ATOM 23 C LIG 1 -1.891 -0.061 2.818 0.00 0.00 +0.077 C BRANCH 18 24 ATOM 24 C LIG 1 -2.683 -2.491 0.147 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -3.221 -3.786 0.203 0.00 0.00 +0.064 A ATOM 26 C LIG 1 -3.684 -4.422 -0.949 0.00 0.00 +0.160 A ATOM 27 F LIG 1 -4.201 -5.655 -0.856 0.00 0.00 -0.202 F ATOM 28 C LIG 1 -3.621 -3.788 -2.179 0.00 0.00 +0.159 A ATOM 29 F LIG 1 -4.068 -4.399 -3.284 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -3.093 -2.511 -2.270 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -2.630 -1.870 -1.114 0.00 0.00 +0.026 A ENDBRANCH 18 24 ENDBRANCH 9 17 BRANCH 1 35 ATOM 32 C LIG 1 -3.172 3.360 -0.365 0.00 0.00 +0.118 C ATOM 33 C LIG 1 -2.546 3.084 1.000 0.00 0.00 +0.033 C ATOM 34 C LIG 1 -1.028 2.927 0.924 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -0.488 2.082 -0.248 0.00 0.00 +0.089 C ATOM 36 C LIG 1 -1.364 1.990 -1.510 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -2.864 2.192 -1.299 0.00 0.00 +0.033 C BRANCH 32 39 ATOM 38 C LIG 1 -3.217 5.740 -0.475 0.00 0.00 +0.194 C ATOM 39 O LIG 1 -2.621 4.540 -0.953 0.00 0.00 -0.380 OA ENDBRANCH 32 39 ENDBRANCH 1 35 TORSDOF 5