REMARK Name = BDB058821 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.842 0.535 -0.918 0.00 0.00 +0.021 A ATOM 2 C LIG 1 -1.458 -0.731 -0.900 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.659 -1.875 -0.922 0.00 0.00 +0.050 A ATOM 4 C LIG 1 0.735 -1.758 -0.948 0.00 0.00 +0.049 A ATOM 5 C LIG 1 1.351 -0.506 -0.959 0.00 0.00 +0.122 A ATOM 6 C LIG 1 0.559 0.641 -0.947 0.00 0.00 +0.057 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.115 2.368 0.209 0.00 0.00 +0.037 C ATOM 8 C LIG 1 -1.631 1.776 -0.901 0.00 0.00 +0.022 C BRANCH 7 9 ATOM 9 C LIG 1 -2.878 3.618 -0.019 0.00 0.00 +0.333 C ATOM 10 O LIG 1 -3.174 4.105 -1.097 0.00 0.00 -0.245 OA BRANCH 9 11 ATOM 11 O LIG 1 -3.230 4.228 1.124 0.00 0.00 -0.477 OA ATOM 12 H LIG 1 -3.721 5.018 0.819 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 7 9 BRANCH 7 13 ATOM 13 C LIG 1 -1.912 1.877 1.622 0.00 0.00 +0.042 C BRANCH 13 15 ATOM 14 C LIG 1 -2.926 0.697 3.607 0.00 0.00 +0.004 C ATOM 15 C LIG 1 -3.166 1.208 2.195 0.00 0.00 +0.001 C ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 2 16 ATOM 16 O LIG 1 -2.827 -0.736 -0.879 0.00 0.00 -0.487 OA BRANCH 16 17 ATOM 17 C LIG 1 -3.486 -1.980 -0.651 0.00 0.00 +0.264 C BRANCH 17 18 ATOM 18 C LIG 1 -4.968 -1.731 -0.480 0.00 0.00 -0.010 A ATOM 19 C LIG 1 -5.652 -0.845 -1.330 0.00 0.00 +0.010 A ATOM 20 C LIG 1 -7.024 -0.636 -1.182 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -7.717 -1.319 -0.191 0.00 0.00 +0.123 A ATOM 22 F LIG 1 -9.034 -1.121 -0.049 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -7.065 -2.209 0.654 0.00 0.00 +0.039 A ATOM 24 C LIG 1 -5.692 -2.419 0.508 0.00 0.00 +0.010 A ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 2 16 BRANCH 5 25 ATOM 25 O LIG 1 2.717 -0.545 -0.983 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 3.405 0.705 -1.032 0.00 0.00 +0.264 C BRANCH 26 27 ATOM 27 C LIG 1 4.892 0.441 -1.029 0.00 0.00 -0.010 A ATOM 28 C LIG 1 5.476 -0.344 -0.025 0.00 0.00 +0.017 A ATOM 29 C LIG 1 6.863 -0.576 -0.003 0.00 0.00 +0.001 A ATOM 30 C LIG 1 7.694 -0.013 -0.994 0.00 0.00 +0.071 A ATOM 31 N LIG 1 9.025 -0.205 -1.012 0.00 0.00 -0.255 NA ATOM 32 C LIG 1 9.568 -0.970 -0.040 0.00 0.00 +0.111 A ATOM 33 C LIG 1 8.838 -1.564 0.973 0.00 0.00 +0.020 A ATOM 34 C LIG 1 7.101 0.765 -1.978 0.00 0.00 +0.029 A ATOM 35 C LIG 1 7.464 -1.362 0.989 0.00 0.00 +0.011 A ATOM 36 C LIG 1 5.721 0.999 -2.005 0.00 0.00 +0.009 A ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 11