REMARK Name = BDB026061 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.259 -1.137 -0.014 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.639 0.122 -0.188 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.753 0.214 -0.300 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.569 -0.932 -0.238 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.928 -2.167 -0.054 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.650 -3.296 0.029 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.456 -2.277 0.058 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.872 -4.278 -0.178 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.441 -2.910 -0.583 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.348 -2.319 0.414 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.523 -3.117 0.727 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.687 -1.589 1.522 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.073 -2.046 2.939 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.132 -1.535 1.440 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.669 -1.194 0.082 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.322 -1.925 -1.027 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.030 -0.833 -0.370 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.789 0.152 0.227 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.133 0.270 0.114 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.780 -0.627 -0.637 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.137 -1.635 -1.252 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.795 -1.711 -1.110 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.163 -0.564 -0.791 0.00 0.00 -0.292 N ATOM 24 C LIG 1 7.944 0.580 -0.268 0.00 0.00 +0.099 C ATOM 25 C LIG 1 7.319 1.963 -0.428 0.00 0.00 +0.030 C ATOM 26 C LIG 1 8.397 0.283 1.174 0.00 0.00 +0.182 C ATOM 27 O LIG 1 9.216 -0.901 1.286 0.00 0.00 -0.376 OA ATOM 28 C LIG 1 9.161 -1.750 0.127 0.00 0.00 +0.179 C ATOM 29 C LIG 1 7.741 -1.886 -0.445 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.515 1.227 -0.248 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.490 0.947 -0.146 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.203 2.551 -0.429 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.086 3.037 -0.572 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.410 3.425 -0.533 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -3.383 3.626 0.530 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -4.429 4.443 0.309 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -4.609 5.143 -0.993 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -5.590 5.863 -1.146 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.619 4.915 -1.943 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -3.698 5.585 -3.232 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -2.544 4.075 -1.700 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -3.186 2.960 1.856 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -1.909 3.078 2.301 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -3.448 1.629 1.766 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6