REMARK Name = BDB046132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.159 1.279 0.054 0.00 0.00 +0.022 C ATOM 2 C LIG 1 1.968 0.587 -0.779 0.00 0.00 -0.011 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 3.437 0.692 -0.568 0.00 0.00 -0.017 A ATOM 4 C LIG 1 4.010 0.486 0.695 0.00 0.00 +0.009 A ATOM 5 C LIG 1 5.395 0.571 0.873 0.00 0.00 +0.009 A ATOM 6 C LIG 1 6.248 0.853 -0.205 0.00 0.00 -0.018 A ATOM 7 C LIG 1 5.670 1.047 -1.469 0.00 0.00 +0.009 A ATOM 8 C LIG 1 4.284 0.964 -1.649 0.00 0.00 +0.009 A BRANCH 6 9 ATOM 9 C LIG 1 7.704 0.941 -0.018 0.00 0.00 -0.018 A ATOM 10 C LIG 1 8.579 0.130 -0.759 0.00 0.00 +0.008 A ATOM 11 C LIG 1 9.963 0.213 -0.583 0.00 0.00 +0.001 A ATOM 12 C LIG 1 10.494 1.110 0.339 0.00 0.00 +0.000 A ATOM 13 C LIG 1 9.644 1.923 1.086 0.00 0.00 +0.001 A ATOM 14 C LIG 1 8.261 1.838 0.910 0.00 0.00 +0.008 A ENDBRANCH 6 9 ENDBRANCH 2 3 BRANCH 2 15 ATOM 15 C LIG 1 1.380 -0.245 -1.853 0.00 0.00 -0.018 A ATOM 16 C LIG 1 1.418 -1.641 -1.747 0.00 0.00 +0.008 A ATOM 17 C LIG 1 0.868 -2.440 -2.752 0.00 0.00 +0.001 A ATOM 18 C LIG 1 0.281 -1.848 -3.869 0.00 0.00 +0.000 A ATOM 19 C LIG 1 0.246 -0.458 -3.987 0.00 0.00 +0.001 A ATOM 20 C LIG 1 0.796 0.343 -2.984 0.00 0.00 +0.008 A ENDBRANCH 2 15 BRANCH 1 21 ATOM 21 C LIG 1 -0.343 1.296 0.093 0.00 0.00 +0.257 C BRANCH 21 22 ATOM 22 O LIG 1 -0.727 0.979 1.434 0.00 0.00 -0.488 OA BRANCH 22 26 ATOM 23 C LIG 1 -4.752 0.311 2.336 0.00 0.00 -0.044 A ATOM 24 C LIG 1 -3.716 -0.207 3.123 0.00 0.00 +0.007 A ATOM 25 C LIG 1 -2.383 0.040 2.783 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -2.065 0.797 1.651 0.00 0.00 +0.121 A ATOM 27 C LIG 1 -3.092 1.327 0.871 0.00 0.00 +0.046 A ATOM 28 C LIG 1 -4.428 1.084 1.211 0.00 0.00 +0.007 A BRANCH 23 29 ATOM 29 C LIG 1 -6.199 0.040 2.692 0.00 0.00 +0.078 C BRANCH 29 30 ATOM 30 C LIG 1 -6.874 -0.913 1.688 0.00 0.00 +0.230 C BRANCH 30 31 ATOM 31 C LIG 1 -7.948 -1.696 2.463 0.00 0.00 +0.334 C ATOM 32 O LIG 1 -9.146 -1.448 2.465 0.00 0.00 -0.248 OA BRANCH 31 33 ATOM 33 O LIG 1 -7.437 -2.736 3.175 0.00 0.00 -0.479 OA ATOM 34 H LIG 1 -6.472 -2.860 3.084 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 BRANCH 30 35 ATOM 35 O LIG 1 -7.394 -0.119 0.620 0.00 0.00 -0.365 OA BRANCH 35 37 ATOM 36 C LIG 1 -8.596 -1.786 -0.726 0.00 0.00 +0.034 C ATOM 37 C LIG 1 -7.462 -0.780 -0.643 0.00 0.00 +0.157 C ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 12