REMARK Name = BDB048934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.215 -0.259 -0.613 0.00 0.00 +0.129 A ATOM 2 C LIG 1 0.868 -0.970 -1.134 0.00 0.00 +0.051 A ATOM 3 C LIG 1 1.782 -1.594 -0.275 0.00 0.00 -0.027 A ATOM 4 C LIG 1 1.607 -1.467 1.111 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.537 -0.737 1.629 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.373 -0.125 0.768 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -1.054 0.351 -1.519 0.00 0.00 -0.456 OA BRANCH 7 13 ATOM 8 C LIG 1 -5.038 -2.450 -0.627 0.00 0.00 +0.047 C ATOM 9 C LIG 1 -4.399 -1.118 -0.901 0.00 0.00 -0.005 A ATOM 10 C LIG 1 -5.176 0.047 -1.004 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -4.578 1.267 -1.325 0.00 0.00 +0.049 A ATOM 12 C LIG 1 -3.193 1.347 -1.481 0.00 0.00 +0.050 A ATOM 13 C LIG 1 -2.408 0.208 -1.320 0.00 0.00 +0.129 A ATOM 14 C LIG 1 -3.008 -1.027 -1.057 0.00 0.00 +0.053 A BRANCH 10 15 ATOM 15 O LIG 1 -6.530 -0.081 -0.865 0.00 0.00 -0.475 OA BRANCH 15 16 ATOM 16 C LIG 1 -7.168 0.651 0.200 0.00 0.00 +0.200 C ATOM 17 C LIG 1 -6.355 0.668 1.507 0.00 0.00 +0.067 C ATOM 18 C LIG 1 -8.471 -0.127 0.457 0.00 0.00 +0.067 C BRANCH 16 19 ATOM 19 C LIG 1 -7.598 2.068 -0.221 0.00 0.00 +0.348 C ATOM 20 O LIG 1 -7.631 2.527 -1.353 0.00 0.00 -0.247 OA BRANCH 19 21 ATOM 21 O LIG 1 -8.015 2.839 0.809 0.00 0.00 -0.478 OA ATOM 22 H LIG 1 -8.277 3.680 0.378 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 7 13 ENDBRANCH 1 7 BRANCH 3 23 ATOM 23 C LIG 1 2.964 -2.349 -0.826 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 N LIG 1 4.137 -1.506 -0.864 0.00 0.00 -0.307 N ATOM 25 H LIG 1 4.101 -0.696 -1.468 0.00 0.00 +0.149 HD ATOM 26 C LIG 1 5.064 -1.523 0.155 0.00 0.00 +0.245 C ATOM 27 O LIG 1 5.051 -2.317 1.087 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 6.109 -0.466 0.071 0.00 0.00 +0.040 A ATOM 29 C LIG 1 6.446 0.315 1.192 0.00 0.00 -0.038 A ATOM 30 C LIG 1 5.771 0.135 2.524 0.00 0.00 +0.044 C ATOM 31 C LIG 1 7.460 1.281 1.060 0.00 0.00 +0.016 A ATOM 32 C LIG 1 8.127 1.480 -0.160 0.00 0.00 +0.055 A ATOM 33 C LIG 1 7.765 0.700 -1.267 0.00 0.00 +0.013 A ATOM 34 C LIG 1 6.768 -0.270 -1.152 0.00 0.00 +0.014 A BRANCH 32 35 ATOM 35 C LIG 1 9.195 2.541 -0.285 0.00 0.00 +0.417 C ATOM 36 F LIG 1 9.873 2.760 0.875 0.00 0.00 -0.166 F ATOM 37 F LIG 1 10.141 2.239 -1.218 0.00 0.00 -0.166 F ATOM 38 F LIG 1 8.681 3.747 -0.652 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 26 28 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 10