REMARK Name = BDB026268 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.022 -0.767 -0.304 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.784 0.549 -0.729 0.00 0.00 +0.134 A ATOM 3 F LIG 1 1.769 1.279 -1.276 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.475 1.141 -0.632 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.551 0.424 -0.105 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.336 -0.905 0.326 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.067 -1.484 0.230 0.00 0.00 +0.038 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.853 0.968 0.009 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.500 1.162 -1.315 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.808 1.988 -1.155 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.646 1.901 -2.436 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.571 3.361 -0.628 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -4.602 4.431 -1.622 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.311 3.439 0.151 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -2.949 2.144 0.910 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 18 ATOM 16 C LIG 1 4.638 -1.084 -0.079 0.00 0.00 +0.218 A ATOM 17 N LIG 1 3.389 -0.595 -0.017 0.00 0.00 -0.214 NA ATOM 18 C LIG 1 2.358 -1.377 -0.401 0.00 0.00 +0.079 A ATOM 19 C LIG 1 2.553 -2.669 -0.838 0.00 0.00 +0.048 A ATOM 20 C LIG 1 3.854 -3.100 -0.861 0.00 0.00 +0.116 A ATOM 21 N LIG 1 4.895 -2.335 -0.492 0.00 0.00 -0.223 NA BRANCH 16 28 ATOM 22 C LIG 1 9.451 -0.066 -0.334 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.116 0.233 0.334 0.00 0.00 +0.133 C ATOM 24 O LIG 1 7.826 1.627 0.120 0.00 0.00 -0.371 OA ATOM 25 C LIG 1 6.594 1.987 0.775 0.00 0.00 +0.133 C ATOM 26 C LIG 1 6.376 3.478 0.556 0.00 0.00 +0.039 C ATOM 27 C LIG 1 5.410 1.168 0.221 0.00 0.00 +0.139 C ATOM 28 N LIG 1 5.699 -0.272 0.330 0.00 0.00 -0.295 N ATOM 29 C LIG 1 6.997 -0.662 -0.241 0.00 0.00 +0.139 C ENDBRANCH 16 28 ENDBRANCH 1 18 BRANCH 6 30 ATOM 30 N LIG 1 -2.469 -1.561 0.855 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.287 -0.952 0.862 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.558 -2.840 1.340 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.670 -3.681 1.400 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.911 -3.157 1.880 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -5.106 -3.305 1.056 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -6.277 -3.616 1.648 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -6.358 -3.804 3.118 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -7.420 -4.073 3.664 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -5.178 -3.658 3.802 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -5.228 -3.803 4.804 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.980 -3.350 3.207 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -4.990 -3.139 -0.426 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -4.770 -1.841 -0.760 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.983 -3.870 -0.960 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -6.124 -3.509 -1.077 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6