REMARK Name = BDB026279 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.444 -0.608 0.297 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.632 0.556 0.351 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.762 0.468 0.232 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.398 -0.774 0.094 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.591 -1.918 0.084 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.136 -3.137 -0.058 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.798 -1.840 0.194 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.450 -1.674 -2.588 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.358 -0.899 -1.625 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.251 -1.707 -0.771 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.165 -2.570 -1.504 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.606 -2.338 0.400 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.973 -3.713 0.143 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.646 -1.391 1.186 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.833 -0.501 0.344 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.533 0.119 -0.796 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.870 -0.845 -0.045 0.00 0.00 -0.038 C ATOM 18 C LIG 1 3.549 0.157 -0.948 0.00 0.00 +0.054 C ATOM 19 C LIG 1 4.960 -0.296 -1.349 0.00 0.00 +0.111 C ATOM 20 N LIG 1 5.698 -0.724 -0.149 0.00 0.00 -0.311 N ATOM 21 C LIG 1 5.102 -1.882 0.536 0.00 0.00 +0.134 C ATOM 22 C LIG 1 3.605 -1.758 0.617 0.00 0.00 -0.004 C BRANCH 20 23 ATOM 23 C LIG 1 7.082 -0.882 -0.365 0.00 0.00 +0.126 A ATOM 24 N LIG 1 7.569 -0.877 -1.619 0.00 0.00 -0.204 NA ATOM 25 C LIG 1 8.900 -1.017 -1.764 0.00 0.00 +0.234 A ATOM 26 N LIG 1 9.796 -1.160 -0.770 0.00 0.00 -0.227 NA ATOM 27 C LIG 1 9.279 -1.141 0.467 0.00 0.00 +0.117 A ATOM 28 C LIG 1 7.933 -1.005 0.723 0.00 0.00 +0.063 A BRANCH 25 29 ATOM 29 C LIG 1 9.409 -1.021 -3.110 0.00 0.00 +0.140 C ATOM 30 N LIG 1 9.819 -1.026 -4.200 0.00 0.00 -0.188 NA ENDBRANCH 25 29 ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 31 ATOM 31 N LIG 1 -1.307 1.772 0.613 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.291 1.623 0.819 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -0.789 3.042 0.658 0.00 0.00 +0.250 C ATOM 34 O LIG 1 0.351 3.392 0.381 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -1.809 4.070 1.021 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -2.525 4.109 2.294 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -3.411 5.100 2.520 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -3.664 6.142 1.493 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -4.479 7.034 1.684 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -2.929 6.030 0.341 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -3.083 6.753 -0.353 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -2.018 5.030 0.105 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -2.229 3.071 3.331 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -2.717 1.860 2.961 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -0.903 2.924 3.560 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -2.800 3.360 4.530 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 7