REMARK Name = BDB047020 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.831 -0.420 -0.453 0.00 0.00 -0.043 A ATOM 2 C LIG 1 2.563 -0.506 0.137 0.00 0.00 +0.007 A ATOM 3 C LIG 1 1.404 -0.466 -0.646 0.00 0.00 +0.046 A ATOM 4 C LIG 1 1.496 -0.349 -2.032 0.00 0.00 +0.121 A ATOM 5 C LIG 1 2.760 -0.281 -2.623 0.00 0.00 +0.046 A ATOM 6 C LIG 1 3.919 -0.320 -1.845 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 5.077 -0.426 0.404 0.00 0.00 +0.094 C BRANCH 7 8 ATOM 8 C LIG 1 5.670 0.959 0.783 0.00 0.00 +0.207 C ATOM 9 C LIG 1 6.084 1.818 -0.421 0.00 0.00 +0.068 C BRANCH 8 10 ATOM 10 C LIG 1 4.643 1.720 1.663 0.00 0.00 +0.349 C ATOM 11 O LIG 1 4.696 1.796 2.885 0.00 0.00 -0.246 OA BRANCH 10 12 ATOM 12 O LIG 1 3.609 2.299 1.002 0.00 0.00 -0.478 OA ATOM 13 H LIG 1 3.546 2.103 0.048 0.00 0.00 +0.295 HD ENDBRANCH 10 12 ENDBRANCH 8 10 BRANCH 8 14 ATOM 14 O LIG 1 6.825 0.856 1.673 0.00 0.00 -0.474 OA BRANCH 14 19 ATOM 15 C LIG 1 10.676 -3.199 0.796 0.00 0.00 +0.044 C ATOM 16 C LIG 1 9.639 -2.134 0.999 0.00 0.00 -0.050 A ATOM 17 C LIG 1 9.702 -0.936 0.275 0.00 0.00 +0.007 A ATOM 18 C LIG 1 8.758 0.071 0.489 0.00 0.00 +0.046 A ATOM 19 C LIG 1 7.737 -0.123 1.414 0.00 0.00 +0.122 A ATOM 20 C LIG 1 7.699 -1.285 2.182 0.00 0.00 +0.046 A ATOM 21 C LIG 1 8.642 -2.292 1.969 0.00 0.00 +0.007 A ENDBRANCH 14 19 ENDBRANCH 8 14 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 O LIG 1 0.455 -0.284 -2.914 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 -0.880 -0.392 -2.411 0.00 0.00 +0.235 C BRANCH 23 24 ATOM 24 C LIG 1 -1.411 0.974 -1.981 0.00 0.00 +0.100 C BRANCH 24 25 ATOM 25 C LIG 1 -2.731 0.873 -1.311 0.00 0.00 +0.086 A ATOM 26 C LIG 1 -3.070 1.077 0.010 0.00 0.00 +0.126 A ATOM 27 C LIG 1 -2.344 1.454 1.235 0.00 0.00 +0.088 C ATOM 28 O LIG 1 -4.412 0.854 0.136 0.00 0.00 -0.440 OA ATOM 29 C LIG 1 -4.826 0.523 -1.128 0.00 0.00 +0.228 A ATOM 30 N LIG 1 -3.855 0.520 -2.023 0.00 0.00 -0.214 NA BRANCH 29 31 ATOM 31 C LIG 1 -6.245 0.228 -1.304 0.00 0.00 +0.037 A ATOM 32 C LIG 1 -7.151 0.263 -0.230 0.00 0.00 +0.021 A ATOM 33 C LIG 1 -8.517 -0.025 -0.406 0.00 0.00 -0.017 A ATOM 34 C LIG 1 -8.964 -0.354 -1.695 0.00 0.00 +0.008 A ATOM 35 C LIG 1 -8.079 -0.394 -2.773 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -6.729 -0.105 -2.577 0.00 0.00 +0.013 A BRANCH 33 37 ATOM 37 C LIG 1 -9.452 0.018 0.732 0.00 0.00 -0.018 A ATOM 38 C LIG 1 -10.270 -1.082 1.039 0.00 0.00 +0.008 A ATOM 39 C LIG 1 -11.156 -1.043 2.119 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -11.240 0.100 2.910 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -10.438 1.202 2.624 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -9.552 1.160 1.544 0.00 0.00 +0.008 A ENDBRANCH 33 37 ENDBRANCH 29 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 12