REMARK Name = BDB005065 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.029 1.536 -0.851 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.729 1.716 -0.376 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.349 1.866 -1.266 0.00 0.00 -0.029 A ATOM 4 C LIG 1 0.110 1.816 -2.646 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -1.185 1.642 -3.127 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -2.249 1.506 -2.234 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.196 1.278 1.359 0.00 0.00 +0.239 C ATOM 8 N LIG 1 -3.157 1.384 -0.022 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -4.051 1.253 -0.500 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -2.228 1.300 2.116 0.00 0.00 -0.273 OA BRANCH 7 11 ATOM 11 C LIG 1 -4.600 1.186 1.921 0.00 0.00 +0.239 C BRANCH 11 14 ATOM 12 C LIG 1 -5.146 -1.627 3.110 0.00 0.00 +0.065 C ATOM 13 C LIG 1 -5.623 -1.136 1.794 0.00 0.00 +0.037 A ATOM 14 N LIG 1 -5.360 0.115 1.302 0.00 0.00 -0.259 N ATOM 15 N LIG 1 -5.872 0.324 0.067 0.00 0.00 -0.167 NA ATOM 16 C LIG 1 -6.512 -0.826 -0.234 0.00 0.00 +0.165 A ATOM 17 C LIG 1 -6.376 -1.762 0.825 0.00 0.00 +0.056 A BRANCH 16 18 ATOM 18 C LIG 1 -7.250 -1.038 -1.530 0.00 0.00 +0.436 C ATOM 19 F LIG 1 -6.519 -0.655 -2.612 0.00 0.00 -0.164 F ATOM 20 F LIG 1 -7.570 -2.347 -1.725 0.00 0.00 -0.164 F ATOM 21 F LIG 1 -8.419 -0.345 -1.576 0.00 0.00 -0.164 F ENDBRANCH 16 18 ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 1 8 BRANCH 3 22 ATOM 22 C LIG 1 1.758 2.034 -0.742 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 N LIG 1 2.426 0.740 -0.794 0.00 0.00 -0.324 N ATOM 24 H LIG 1 1.878 0.038 -0.302 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 3.746 0.726 -0.296 0.00 0.00 +0.130 A ATOM 26 C LIG 1 4.470 -0.486 -0.286 0.00 0.00 +0.041 A ATOM 27 C LIG 1 5.777 -0.436 0.236 0.00 0.00 +0.088 A ATOM 28 C LIG 1 6.511 -1.642 0.270 0.00 0.00 +0.063 A ATOM 29 C LIG 1 5.964 -2.847 -0.211 0.00 0.00 +0.015 A ATOM 30 C LIG 1 4.683 -2.881 -0.738 0.00 0.00 +0.002 A ATOM 31 N LIG 1 6.291 0.734 0.679 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 5.526 1.828 0.593 0.00 0.00 +0.223 A ATOM 33 C LIG 1 3.943 -1.707 -0.777 0.00 0.00 +0.013 A ATOM 34 N LIG 1 4.281 1.882 0.125 0.00 0.00 -0.220 NA BRANCH 28 35 ATOM 35 C LIG 1 7.905 -1.738 0.806 0.00 0.00 +0.244 C ATOM 36 O LIG 1 8.520 -2.800 0.812 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 8.494 -0.612 1.298 0.00 0.00 -0.325 N ATOM 38 H LIG 1 9.440 -0.663 1.645 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 8.007 0.280 1.280 0.00 0.00 +0.145 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 8