REMARK Name = BDB026133 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.789 -0.672 0.493 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.393 0.116 0.531 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.649 -0.484 0.697 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.776 -1.871 0.877 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.598 -2.626 0.898 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.651 -3.955 1.080 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.657 -2.044 0.716 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -2.728 -1.613 -2.535 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.324 -0.343 -1.917 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.587 -0.621 -1.183 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.429 0.582 -1.152 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.362 -1.121 0.197 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.283 -2.652 0.207 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.222 -0.446 1.012 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.027 -0.075 0.239 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.256 0.448 -1.122 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.101 -2.494 1.050 0.00 0.00 -0.014 A ATOM 18 C LIG 1 4.140 -2.252 0.132 0.00 0.00 +0.024 A ATOM 19 C LIG 1 5.408 -2.840 0.285 0.00 0.00 +0.072 A ATOM 20 C LIG 1 5.633 -3.677 1.378 0.00 0.00 +0.136 A ATOM 21 F LIG 1 6.825 -4.263 1.574 0.00 0.00 -0.205 F ATOM 22 C LIG 1 4.623 -3.931 2.301 0.00 0.00 +0.040 A ATOM 23 C LIG 1 3.367 -3.345 2.137 0.00 0.00 +0.011 A BRANCH 19 24 ATOM 24 C LIG 1 6.448 -2.545 -0.734 0.00 0.00 +0.244 C ATOM 25 O LIG 1 6.208 -1.837 -1.706 0.00 0.00 -0.270 OA ATOM 26 N LIG 1 7.691 -3.085 -0.568 0.00 0.00 -0.325 N ATOM 27 H LIG 1 7.935 -3.684 0.211 0.00 0.00 +0.145 HD ATOM 28 H LIG 1 8.392 -2.883 -1.268 0.00 0.00 +0.145 HD ENDBRANCH 19 24 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 0.212 1.518 0.472 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -0.769 1.780 0.454 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 1.164 2.504 0.547 0.00 0.00 +0.250 C ATOM 32 O LIG 1 2.378 2.381 0.628 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 0.562 3.865 0.565 0.00 0.00 +0.065 A ATOM 34 C LIG 1 0.138 4.573 -0.636 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -0.386 5.810 -0.518 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -0.534 6.446 0.815 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -1.024 7.560 0.934 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -0.096 5.702 1.882 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -0.179 6.144 2.791 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 0.447 4.446 1.770 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 0.313 3.904 -1.963 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -0.479 2.806 -2.066 0.00 0.00 -0.166 F ATOM 43 F LIG 1 1.586 3.510 -2.189 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -0.034 4.716 -2.997 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6