REMARK Name = BDB035770 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.331 -0.677 -0.446 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.139 -0.894 -1.144 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.088 -0.990 -2.336 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 0.930 -0.997 -0.144 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.282 -1.210 -0.347 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.114 -1.260 0.779 0.00 0.00 -0.032 A ATOM 7 C LIG 1 2.552 -1.099 2.070 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.173 -0.885 2.259 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.374 -0.837 1.120 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -1.099 -0.622 0.994 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -5.065 -0.115 -0.680 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.744 -0.286 -0.188 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.628 -0.530 -1.009 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.851 -0.619 -2.383 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.134 -0.476 -2.911 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.220 -0.230 -2.071 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -7.929 -1.219 0.254 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -7.758 0.250 -0.178 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -6.281 0.196 0.335 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -6.743 -1.015 1.218 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.934 1.487 1.187 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.718 2.755 0.718 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.758 3.211 -0.643 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.427 3.514 1.809 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -5.457 2.764 2.886 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -5.770 1.484 2.494 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -8.855 -2.491 -1.598 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -7.731 -2.214 -0.775 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 0.584 -0.697 3.631 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.470 -0.897 4.644 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.084 0.556 3.806 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.453 -1.548 3.866 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.605 -1.490 0.621 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 5.414 -0.402 1.193 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 6.826 -0.791 1.334 0.00 0.00 +0.085 C ATOM 36 C LIG 1 7.591 -0.860 0.008 0.00 0.00 +0.022 C ATOM 37 C LIG 1 7.469 0.474 -0.741 0.00 0.00 -0.022 C ATOM 38 C LIG 1 8.397 1.615 -0.223 0.00 0.00 +0.038 C ATOM 39 C LIG 1 9.406 1.264 -1.335 0.00 0.00 +0.116 C ATOM 40 C LIG 1 8.274 0.519 -2.070 0.00 0.00 +0.038 C ATOM 41 C LIG 1 5.998 0.866 -0.908 0.00 0.00 +0.022 C ATOM 42 C LIG 1 5.298 0.867 0.454 0.00 0.00 +0.085 C BRANCH 39 43 ATOM 43 O LIG 1 10.530 0.457 -0.936 0.00 0.00 -0.392 OA ATOM 44 H LIG 1 11.090 1.050 -0.407 0.00 0.00 +0.210 HD ENDBRANCH 39 43 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8