REMARK Name = BDB050269 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.492 0.360 -1.852 0.00 0.00 +0.056 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.592 1.437 -1.776 0.00 0.00 +0.230 C BRANCH 2 3 ATOM 3 O LIG 1 1.335 1.354 -0.559 0.00 0.00 -0.492 OA BRANCH 3 7 ATOM 4 C LIG 1 4.723 -1.050 -0.097 0.00 0.00 -0.044 A ATOM 5 C LIG 1 4.281 -0.173 0.899 0.00 0.00 +0.007 A ATOM 6 C LIG 1 3.142 0.609 0.695 0.00 0.00 +0.046 A ATOM 7 C LIG 1 2.427 0.535 -0.502 0.00 0.00 +0.121 A ATOM 8 C LIG 1 2.862 -0.339 -1.496 0.00 0.00 +0.046 A ATOM 9 C LIG 1 4.002 -1.126 -1.295 0.00 0.00 +0.007 A BRANCH 4 10 ATOM 10 C LIG 1 5.968 -1.884 0.108 0.00 0.00 +0.078 C BRANCH 10 11 ATOM 11 C LIG 1 7.275 -1.175 -0.266 0.00 0.00 +0.230 C BRANCH 11 12 ATOM 12 C LIG 1 7.285 -0.803 -1.749 0.00 0.00 +0.334 C ATOM 13 O LIG 1 7.296 -1.609 -2.667 0.00 0.00 -0.248 OA BRANCH 12 14 ATOM 14 O LIG 1 7.284 0.541 -1.942 0.00 0.00 -0.479 OA ATOM 15 H LIG 1 7.224 0.969 -1.055 0.00 0.00 +0.295 HD ENDBRANCH 12 14 ENDBRANCH 11 12 BRANCH 11 16 ATOM 16 O LIG 1 7.452 0.027 0.511 0.00 0.00 -0.365 OA BRANCH 16 18 ATOM 17 C LIG 1 8.332 -0.886 2.595 0.00 0.00 +0.034 C ATOM 18 C LIG 1 8.582 -0.005 1.384 0.00 0.00 +0.157 C ENDBRANCH 16 18 ENDBRANCH 11 16 ENDBRANCH 10 11 ENDBRANCH 4 10 ENDBRANCH 3 7 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -1.534 0.468 -0.728 0.00 0.00 +0.088 C BRANCH 19 20 ATOM 20 N LIG 1 -2.317 1.714 -0.795 0.00 0.00 -0.298 NA ATOM 21 C LIG 1 -2.895 2.063 0.515 0.00 0.00 +0.089 C ATOM 22 C LIG 1 -3.963 1.070 1.011 0.00 0.00 +0.051 C ATOM 23 C LIG 1 -4.943 0.699 -0.078 0.00 0.00 -0.042 C ATOM 24 C LIG 1 -4.659 0.983 -1.363 0.00 0.00 -0.008 C ATOM 25 C LIG 1 -3.388 1.660 -1.804 0.00 0.00 +0.112 C BRANCH 23 26 ATOM 26 C LIG 1 -6.198 0.023 0.309 0.00 0.00 -0.022 A ATOM 27 C LIG 1 -7.427 0.417 -0.237 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -8.618 -0.212 0.141 0.00 0.00 +0.013 A ATOM 29 C LIG 1 -8.608 -1.247 1.085 0.00 0.00 +0.055 A ATOM 30 C LIG 1 -7.380 -1.647 1.631 0.00 0.00 +0.013 A ATOM 31 C LIG 1 -6.192 -1.014 1.252 0.00 0.00 +0.009 A BRANCH 29 32 ATOM 32 C LIG 1 -9.887 -1.944 1.478 0.00 0.00 +0.417 C ATOM 33 F LIG 1 -9.865 -2.426 2.752 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -10.981 -1.133 1.408 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -10.162 -3.011 0.679 0.00 0.00 -0.166 F ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 13