REMARK Name = BDB048122 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.512 0.729 1.224 0.00 0.00 +0.237 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.766 0.855 2.083 0.00 0.00 +0.100 C BRANCH 2 5 ATOM 3 C LIG 1 2.700 -2.370 2.402 0.00 0.00 +0.088 C ATOM 4 C LIG 1 3.264 -1.220 1.677 0.00 0.00 +0.126 A ATOM 5 C LIG 1 2.916 0.105 1.521 0.00 0.00 +0.086 A ATOM 6 N LIG 1 3.836 0.727 0.707 0.00 0.00 -0.214 NA ATOM 7 C LIG 1 4.698 -0.224 0.400 0.00 0.00 +0.228 A ATOM 8 O LIG 1 4.408 -1.440 0.963 0.00 0.00 -0.440 OA BRANCH 7 9 ATOM 9 C LIG 1 5.892 -0.151 -0.439 0.00 0.00 +0.037 A ATOM 10 C LIG 1 6.239 1.065 -1.044 0.00 0.00 +0.014 A ATOM 11 C LIG 1 7.375 1.168 -1.853 0.00 0.00 +0.013 A ATOM 12 C LIG 1 8.198 0.054 -2.070 0.00 0.00 +0.055 A ATOM 13 C LIG 1 7.849 -1.167 -1.474 0.00 0.00 +0.013 A ATOM 14 C LIG 1 6.711 -1.266 -0.665 0.00 0.00 +0.014 A BRANCH 12 15 ATOM 15 C LIG 1 9.412 0.155 -2.961 0.00 0.00 +0.417 C ATOM 16 F LIG 1 9.127 -0.131 -4.261 0.00 0.00 -0.166 F ATOM 17 F LIG 1 9.972 1.398 -2.965 0.00 0.00 -0.166 F ATOM 18 F LIG 1 10.411 -0.699 -2.601 0.00 0.00 -0.166 F ENDBRANCH 12 15 ENDBRANCH 7 9 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 O LIG 1 -0.538 1.460 1.867 0.00 0.00 -0.476 OA BRANCH 19 20 ATOM 20 C LIG 1 -1.731 1.418 1.173 0.00 0.00 +0.215 A ATOM 21 N LIG 1 -1.846 0.643 0.076 0.00 0.00 -0.221 NA ATOM 22 C LIG 1 -3.045 0.648 -0.549 0.00 0.00 +0.118 A ATOM 23 C LIG 1 -4.149 1.384 -0.122 0.00 0.00 -0.026 A ATOM 24 C LIG 1 -3.989 2.174 1.020 0.00 0.00 +0.010 A ATOM 25 C LIG 1 -2.763 2.189 1.680 0.00 0.00 +0.067 A BRANCH 23 26 ATOM 26 C LIG 1 -5.461 1.334 -0.866 0.00 0.00 +0.083 C BRANCH 26 27 ATOM 27 C LIG 1 -6.245 0.009 -0.751 0.00 0.00 +0.169 C ATOM 28 O LIG 1 -5.483 -1.037 -1.392 0.00 0.00 -0.362 OA ATOM 29 C LIG 1 -5.630 -2.254 -0.646 0.00 0.00 +0.161 C ATOM 30 C LIG 1 -6.643 -1.990 0.446 0.00 0.00 +0.031 C ATOM 31 C LIG 1 -6.499 -0.502 0.668 0.00 0.00 +0.049 C BRANCH 27 32 ATOM 32 C LIG 1 -7.592 0.194 -1.503 0.00 0.00 +0.337 C ATOM 33 O LIG 1 -7.914 -0.409 -2.517 0.00 0.00 -0.248 OA BRANCH 32 34 ATOM 34 O LIG 1 -8.435 1.096 -0.939 0.00 0.00 -0.479 OA ATOM 35 H LIG 1 -8.126 1.524 -0.121 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 27 32 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 10