REMARK Name = BDB035507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.374 -1.293 -0.992 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.357 -0.165 -0.605 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.002 0.930 -0.210 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.778 -0.507 -0.746 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.885 0.280 -0.484 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.152 -0.279 -0.697 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.258 -1.615 -1.157 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.120 -2.402 -1.419 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.877 -1.816 -1.203 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.507 -2.386 -1.381 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.045 -0.472 -0.700 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -2.637 -0.356 -0.673 0.00 0.00 +0.031 A ATOM 13 C LIG 1 -1.791 -1.420 -1.022 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.391 -2.627 -1.407 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.780 -2.768 -1.437 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.601 -1.702 -1.082 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -4.916 0.733 -0.283 0.00 0.00 +0.220 C ATOM 18 F LIG 1 -4.092 1.817 -0.053 0.00 0.00 -0.223 F BRANCH 17 21 ATOM 19 C LIG 1 -5.903 3.642 -0.847 0.00 0.00 +0.151 C ATOM 20 N LIG 1 -6.281 2.467 -1.587 0.00 0.00 -0.317 N ATOM 21 C LIG 1 -5.873 1.169 -1.384 0.00 0.00 +0.180 A ATOM 22 N LIG 1 -6.497 0.407 -2.271 0.00 0.00 -0.131 NA ATOM 23 N LIG 1 -7.297 1.205 -3.050 0.00 0.00 -0.138 NA ATOM 24 C LIG 1 -7.153 2.438 -2.631 0.00 0.00 +0.224 A ENDBRANCH 17 21 BRANCH 17 25 ATOM 25 C LIG 1 -5.662 0.419 1.032 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -6.943 -0.162 1.065 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -7.572 -0.436 2.282 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -6.932 -0.141 3.483 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.660 0.424 3.472 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -5.028 0.699 2.258 0.00 0.00 +0.007 A ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 3.235 -3.823 -1.900 0.00 0.00 +0.418 C ATOM 32 F LIG 1 2.701 -4.709 -1.014 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.566 -4.024 -3.070 0.00 0.00 -0.166 F ATOM 34 F LIG 1 4.512 -4.232 -2.122 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 5.404 0.524 -0.412 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.056 0.027 0.800 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 5.355 -0.026 1.540 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 7.244 0.821 1.160 0.00 0.00 +0.017 C ATOM 39 C LIG 1 7.662 0.394 2.600 0.00 0.00 +0.022 C ATOM 40 C LIG 1 7.796 1.895 2.935 0.00 0.00 +0.004 C ATOM 41 C LIG 1 6.811 2.179 1.782 0.00 0.00 +0.022 C ATOM 42 C LIG 1 8.363 0.801 0.135 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 8