REMARK Name = BDB026957 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.401 0.775 1.934 0.00 0.00 -0.290 OA ATOM 2 C LIG 1 0.506 -0.234 1.227 0.00 0.00 +0.186 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -0.622 -0.700 0.408 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -1.885 -0.040 0.218 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -2.656 -0.834 -0.629 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -3.955 -0.486 -1.028 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -4.511 0.718 -0.555 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -3.745 1.526 0.298 0.00 0.00 +0.009 A ATOM 9 N LIG 1 -1.906 -1.942 -0.941 0.00 0.00 -0.360 N ATOM 10 H LIG 1 -2.221 -2.699 -1.532 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 -2.447 1.164 0.688 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -0.681 -1.869 -0.332 0.00 0.00 +0.095 A BRANCH 7 13 ATOM 13 C LIG 1 -5.870 1.118 -0.948 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -6.264 1.179 -2.286 0.00 0.00 +0.119 A ATOM 15 N LIG 1 -7.501 1.531 -2.717 0.00 0.00 -0.263 NA ATOM 16 C LIG 1 -8.402 1.848 -1.765 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -8.125 1.828 -0.409 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -6.845 1.458 -0.001 0.00 0.00 +0.011 A ENDBRANCH 7 13 ENDBRANCH 2 3 BRANCH 2 19 ATOM 19 C LIG 1 1.839 -1.035 1.191 0.00 0.00 +0.156 C BRANCH 19 20 ATOM 20 C LIG 1 1.787 -2.268 2.084 0.00 0.00 -0.023 A ATOM 21 C LIG 1 2.365 -3.470 1.642 0.00 0.00 +0.005 A ATOM 22 C LIG 1 2.336 -4.613 2.443 0.00 0.00 +0.000 A ATOM 23 C LIG 1 1.739 -4.568 3.701 0.00 0.00 +0.000 A ATOM 24 C LIG 1 1.180 -3.379 4.163 0.00 0.00 +0.000 A ATOM 25 C LIG 1 1.209 -2.234 3.365 0.00 0.00 +0.005 A ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 N LIG 1 2.986 -0.183 1.611 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 2.676 0.311 2.453 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.360 0.822 0.608 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 4.187 0.232 -0.544 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 4.624 1.300 -1.519 0.00 0.00 -0.046 A ATOM 31 C LIG 1 3.773 1.702 -2.560 0.00 0.00 +0.006 A ATOM 32 C LIG 1 4.171 2.701 -3.449 0.00 0.00 +0.038 A ATOM 33 C LIG 1 5.417 3.299 -3.296 0.00 0.00 +0.123 A ATOM 34 F LIG 1 5.798 4.258 -4.150 0.00 0.00 -0.205 F ATOM 35 C LIG 1 6.271 2.918 -2.268 0.00 0.00 +0.038 A ATOM 36 C LIG 1 5.875 1.920 -1.377 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 19 26 ENDBRANCH 2 19 TORSDOF 8