REMARK Name = BDB026039 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.246 -1.296 0.302 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.805 0.047 0.363 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.551 0.357 0.211 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.509 -0.650 -0.012 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.046 -1.974 -0.072 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.906 -2.979 -0.296 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.302 -2.300 0.080 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.366 -2.576 -2.003 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.790 -2.126 -0.652 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.175 -3.045 0.468 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.631 -3.073 0.652 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.479 -2.631 1.728 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.728 -3.612 2.883 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.936 -2.510 1.540 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.635 -1.552 0.454 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.245 -2.005 -0.817 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.933 -0.320 -0.178 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.387 0.763 -0.904 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.689 1.092 -1.070 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.611 0.312 -0.486 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.278 -0.765 0.241 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.963 -1.054 0.374 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 6.944 0.614 -0.658 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.292 1.879 -1.300 0.00 0.00 +0.139 C ATOM 25 C LIG 1 8.804 1.924 -1.626 0.00 0.00 +0.133 C ATOM 26 C LIG 1 9.168 0.998 -2.785 0.00 0.00 +0.039 C ATOM 27 O LIG 1 9.673 1.608 -0.522 0.00 0.00 -0.374 OA ATOM 28 C LIG 1 8.989 1.093 0.627 0.00 0.00 +0.179 C ATOM 29 C LIG 1 7.916 0.051 0.278 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.816 1.006 0.584 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.733 0.568 0.672 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.679 2.364 0.729 0.00 0.00 +0.249 C ATOM 33 O LIG 1 -0.647 3.021 0.730 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.954 3.081 0.961 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -3.983 3.115 0.003 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -5.165 3.808 0.321 0.00 0.00 +0.051 A ATOM 37 C LIG 1 -5.291 4.464 1.543 0.00 0.00 +0.124 A ATOM 38 F LIG 1 -6.423 5.121 1.822 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -4.259 4.453 2.473 0.00 0.00 +0.039 A ATOM 40 C LIG 1 -3.084 3.763 2.181 0.00 0.00 +0.016 A BRANCH 35 41 ATOM 41 C LIG 1 -3.850 2.433 -1.331 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -4.026 1.086 -1.232 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.781 2.852 -2.236 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.648 2.624 -1.931 0.00 0.00 -0.166 F ENDBRANCH 35 41 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6