REMARK Name = BDB026285 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.755 -1.645 -0.143 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.014 -0.466 -0.400 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.380 -0.541 -0.559 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.064 -1.765 -0.471 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.317 -2.917 -0.218 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.909 -4.119 -0.128 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.064 -2.862 -0.059 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.145 -3.095 1.990 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.145 -1.629 1.524 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.992 -1.339 0.335 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -7.390 -1.712 0.519 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.432 -1.960 -0.883 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.975 -1.521 -1.159 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -3.141 -1.710 0.039 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.682 -1.146 1.290 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.512 -1.831 -0.616 0.00 0.00 +0.022 A ATOM 17 C LIG 1 3.292 -0.922 -1.304 0.00 0.00 +0.117 A ATOM 18 N LIG 1 4.584 -1.353 -1.186 0.00 0.00 -0.270 N ATOM 19 N LIG 1 4.706 -2.481 -0.462 0.00 0.00 -0.179 NA ATOM 20 C LIG 1 3.447 -2.776 -0.129 0.00 0.00 +0.143 A BRANCH 18 21 ATOM 21 C LIG 1 5.769 -0.708 -1.723 0.00 0.00 +0.159 C BRANCH 21 22 ATOM 22 C LIG 1 6.464 0.173 -0.672 0.00 0.00 +0.108 C BRANCH 22 23 ATOM 23 N LIG 1 7.881 -0.165 -0.432 0.00 0.00 -0.296 NA ATOM 24 C LIG 1 8.043 -1.485 0.231 0.00 0.00 +0.112 C ATOM 25 C LIG 1 7.630 -1.502 1.711 0.00 0.00 +0.175 C ATOM 26 O LIG 1 8.351 -0.510 2.457 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 8.133 0.793 1.907 0.00 0.00 +0.175 C ATOM 28 C LIG 1 8.539 0.851 0.424 0.00 0.00 +0.112 C ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -1.715 0.758 -0.478 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.708 0.672 -0.313 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.216 2.026 -0.657 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.051 2.369 -0.813 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.280 3.074 -0.585 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -2.243 4.122 0.423 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -3.222 5.044 0.446 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -4.335 5.016 -0.541 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -5.210 5.874 -0.479 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.287 3.985 -1.477 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -5.340 3.887 -2.477 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -3.269 3.045 -1.492 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -1.117 4.117 1.417 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -1.269 5.105 2.344 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -1.110 2.953 2.123 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 8