REMARK Name = BDB046137 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.809 0.023 0.490 0.00 0.00 +0.022 C ATOM 2 C LIG 1 -2.906 -0.699 0.167 0.00 0.00 -0.011 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -4.217 0.003 0.164 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -4.652 0.752 1.265 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -5.899 1.390 1.249 0.00 0.00 +0.012 A ATOM 6 C LIG 1 -6.747 1.290 0.138 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -6.313 0.528 -0.956 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -5.066 -0.110 -0.943 0.00 0.00 +0.009 A BRANCH 6 9 ATOM 9 C LIG 1 -8.046 1.962 0.129 0.00 0.00 +0.135 A ATOM 10 O LIG 1 -8.824 1.769 -0.981 0.00 0.00 -0.463 OA ATOM 11 C LIG 1 -9.974 2.466 -0.800 0.00 0.00 +0.196 A ATOM 12 C LIG 1 -9.957 3.113 0.410 0.00 0.00 +0.042 A ATOM 13 C LIG 1 -8.716 2.789 1.011 0.00 0.00 +0.050 A ENDBRANCH 6 9 ENDBRANCH 2 3 BRANCH 2 14 ATOM 14 C LIG 1 -2.776 -2.132 -0.189 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -2.111 -2.527 -1.359 0.00 0.00 +0.008 A ATOM 16 C LIG 1 -2.008 -3.879 -1.690 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -2.576 -4.845 -0.861 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -3.250 -4.461 0.298 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -3.353 -3.109 0.632 0.00 0.00 +0.008 A ENDBRANCH 2 14 BRANCH 1 20 ATOM 20 C LIG 1 -0.386 -0.443 0.610 0.00 0.00 +0.257 C BRANCH 20 21 ATOM 21 O LIG 1 0.370 0.262 -0.373 0.00 0.00 -0.488 OA BRANCH 21 25 ATOM 22 C LIG 1 4.508 -0.229 -0.683 0.00 0.00 -0.044 A ATOM 23 C LIG 1 3.805 -1.011 0.242 0.00 0.00 +0.007 A ATOM 24 C LIG 1 2.418 -0.881 0.380 0.00 0.00 +0.046 A ATOM 25 C LIG 1 1.718 0.033 -0.406 0.00 0.00 +0.121 A ATOM 26 C LIG 1 2.416 0.810 -1.333 0.00 0.00 +0.046 A ATOM 27 C LIG 1 3.799 0.684 -1.472 0.00 0.00 +0.007 A BRANCH 22 28 ATOM 28 C LIG 1 6.007 -0.352 -0.814 0.00 0.00 +0.078 C BRANCH 28 29 ATOM 29 C LIG 1 6.777 0.772 -0.105 0.00 0.00 +0.230 C BRANCH 29 30 ATOM 30 C LIG 1 6.623 0.654 1.413 0.00 0.00 +0.334 C ATOM 31 O LIG 1 6.205 1.527 2.159 0.00 0.00 -0.248 OA BRANCH 30 32 ATOM 32 O LIG 1 7.061 -0.514 1.926 0.00 0.00 -0.479 OA ATOM 33 H LIG 1 6.953 -0.404 2.893 0.00 0.00 +0.295 HD ENDBRANCH 30 32 ENDBRANCH 29 30 BRANCH 29 34 ATOM 34 O LIG 1 8.143 0.697 -0.533 0.00 0.00 -0.365 OA BRANCH 34 36 ATOM 35 C LIG 1 10.306 1.688 -0.713 0.00 0.00 +0.034 C ATOM 36 C LIG 1 8.900 1.850 -0.168 0.00 0.00 +0.157 C ENDBRANCH 34 36 ENDBRANCH 29 34 ENDBRANCH 28 29 ENDBRANCH 22 28 ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 12