REMARK Name = BDB026058 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.771 -1.315 -0.084 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.818 -0.275 0.043 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.532 -0.501 -0.256 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.986 -1.761 -0.684 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.029 -2.782 -0.787 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.377 -4.021 -1.165 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.321 -2.568 -0.499 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.796 -2.678 -2.082 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.142 -1.373 -1.354 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -6.041 -1.694 -0.215 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -7.227 -0.832 -0.233 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.356 -1.633 1.103 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -6.048 -2.581 2.089 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.849 -2.004 1.026 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.128 -1.033 0.182 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.870 -0.549 -1.008 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.416 -1.972 -0.981 0.00 0.00 -0.022 C ATOM 18 C LIG 1 3.479 -0.989 -0.574 0.00 0.00 +0.147 C ATOM 19 N LIG 1 4.693 -1.625 -1.045 0.00 0.00 -0.259 N ATOM 20 C LIG 1 5.953 -1.114 -0.899 0.00 0.00 +0.404 C ATOM 21 O LIG 1 6.962 -1.664 -1.322 0.00 0.00 -0.226 OA ATOM 22 C LIG 1 4.456 -2.865 -1.738 0.00 0.00 +0.139 C ATOM 23 C LIG 1 2.976 -3.002 -1.637 0.00 0.00 -0.002 C BRANCH 20 24 ATOM 24 O LIG 1 5.942 0.071 -0.228 0.00 0.00 -0.444 OA BRANCH 24 25 ATOM 25 C LIG 1 7.221 0.722 -0.026 0.00 0.00 +0.112 C ATOM 26 C LIG 1 7.204 1.723 1.173 0.00 0.00 +0.048 C ATOM 27 C LIG 1 8.595 1.206 1.576 0.00 0.00 +0.008 C ATOM 28 C LIG 1 8.293 -0.074 0.782 0.00 0.00 +0.048 C ATOM 29 C LIG 1 7.698 1.377 -1.322 0.00 0.00 +0.056 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.321 0.961 0.505 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.319 0.917 0.697 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.633 2.121 0.755 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.567 2.328 0.639 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -1.525 3.202 1.255 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -2.381 4.000 0.385 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -3.155 4.960 0.928 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -3.142 5.205 2.393 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -3.854 6.063 2.897 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -2.293 4.411 3.123 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -2.270 4.590 4.121 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -1.496 3.435 2.576 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.350 3.739 -1.089 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.845 2.509 -1.385 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.108 4.627 -1.784 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.102 3.808 -1.607 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7