REMARK Name = BDB026206 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.116 -0.821 -0.012 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.670 0.359 -0.061 0.00 0.00 +0.056 A ATOM 3 C LIG 1 2.069 0.283 -0.049 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.727 -0.957 -0.005 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.935 -2.111 0.026 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.515 -3.321 0.069 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.542 -2.053 0.027 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.562 -2.272 -1.675 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.804 -1.451 -0.626 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.198 -1.894 0.739 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.458 -1.269 1.153 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.137 -1.656 1.754 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -2.493 -3.003 2.105 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.075 -0.583 1.389 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.522 -0.706 0.018 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.280 -1.583 -0.893 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 4.197 -1.033 0.005 0.00 0.00 +0.021 A ATOM 18 C LIG 1 4.957 -0.393 0.999 0.00 0.00 +0.134 A ATOM 19 F LIG 1 4.345 0.298 1.972 0.00 0.00 -0.205 F ATOM 20 C LIG 1 6.347 -0.462 1.018 0.00 0.00 +0.078 A ATOM 21 C LIG 1 7.008 -1.180 0.030 0.00 0.00 +0.138 A ATOM 22 F LIG 1 8.348 -1.205 0.057 0.00 0.00 -0.205 F ATOM 23 C LIG 1 6.292 -1.825 -0.977 0.00 0.00 +0.072 A ATOM 24 C LIG 1 4.889 -1.757 -0.984 0.00 0.00 +0.027 A BRANCH 23 25 ATOM 25 C LIG 1 7.016 -2.595 -2.013 0.00 0.00 +0.244 C ATOM 26 O LIG 1 8.041 -3.216 -1.772 0.00 0.00 -0.270 OA ATOM 27 N LIG 1 6.486 -2.577 -3.275 0.00 0.00 -0.325 N ATOM 28 H LIG 1 5.801 -1.893 -3.566 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 7.051 -3.008 -3.996 0.00 0.00 +0.145 HD ENDBRANCH 23 25 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -0.042 1.575 -0.141 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.049 1.438 -0.111 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 0.457 2.840 -0.337 0.00 0.00 +0.250 C ATOM 33 O LIG 1 1.622 3.165 -0.525 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -0.619 3.870 -0.403 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -1.397 4.314 0.748 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -2.344 5.258 0.576 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -2.599 5.840 -0.766 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -3.470 6.684 -0.932 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -1.804 5.371 -1.781 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -1.962 5.782 -2.695 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -0.832 4.416 -1.612 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -1.101 3.740 2.100 0.00 0.00 +0.372 C ATOM 43 F LIG 1 0.228 3.734 2.371 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -1.523 2.450 2.175 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6