REMARK Name = BDB035992 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.530 0.728 -1.394 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.908 1.997 -1.323 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.539 2.135 -1.017 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.813 0.969 -0.794 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.633 0.793 -0.457 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.786 -0.652 -0.347 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.423 -1.312 -0.593 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.700 -2.497 -0.608 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.426 -0.276 -0.870 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.768 -0.428 -1.164 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.033 -1.258 -0.029 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.178 -0.470 0.180 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.432 -1.039 0.485 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.530 -2.430 0.598 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.407 -3.227 0.400 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.174 -2.645 0.087 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.665 -0.165 0.693 0.00 0.00 +0.090 C BRANCH 17 18 ATOM 18 C LIG 1 -5.862 0.799 -0.446 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -6.316 0.455 -1.696 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.689 -0.850 -2.170 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -6.322 1.602 -2.428 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -5.898 2.597 -1.687 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -5.605 2.094 -0.443 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -5.541 0.572 2.043 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -5.620 -0.286 3.341 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -7.123 0.034 3.402 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -6.829 1.285 2.555 0.00 0.00 +0.004 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 0.879 3.486 -0.942 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.742 4.526 -1.106 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.083 3.641 -1.891 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.263 3.694 0.254 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 5.005 0.611 -1.726 0.00 0.00 +0.119 C BRANCH 32 36 ATOM 33 C LIG 1 9.313 -1.540 -0.648 0.00 0.00 +0.009 C ATOM 34 C LIG 1 7.929 -1.180 -0.113 0.00 0.00 +0.000 C ATOM 35 C LIG 1 7.115 -0.417 -1.171 0.00 0.00 +0.088 C ATOM 36 N LIG 1 5.783 -0.049 -0.665 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 5.895 0.799 0.533 0.00 0.00 +0.085 C ATOM 38 C LIG 1 6.664 0.085 1.646 0.00 0.00 +0.016 C ATOM 39 C LIG 1 8.044 -0.357 1.174 0.00 0.00 +0.006 C ENDBRANCH 32 36 ENDBRANCH 1 32 TORSDOF 7