REMARK Name = BDB026098 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.478 0.636 0.260 0.00 0.00 +0.021 A ATOM 2 C LIG 1 -0.046 1.935 0.299 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.778 2.996 0.313 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.419 2.186 0.331 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.335 1.135 0.318 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.822 -0.190 0.303 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.442 -0.426 0.262 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.731 1.319 0.305 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -4.327 2.392 1.131 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.565 3.741 0.379 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.387 4.653 1.302 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.223 3.556 -0.943 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -5.336 4.809 -1.695 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.458 2.572 -1.742 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -4.345 1.207 -1.040 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 4.674 -0.177 0.226 0.00 0.00 +0.121 A ATOM 17 N LIG 1 3.866 -0.833 1.084 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 2.539 -0.548 1.063 0.00 0.00 +0.121 A ATOM 19 C LIG 1 1.928 0.384 0.227 0.00 0.00 +0.003 A ATOM 20 C LIG 1 2.786 1.063 -0.640 0.00 0.00 +0.013 A ATOM 21 C LIG 1 4.155 0.786 -0.638 0.00 0.00 +0.044 A BRANCH 16 28 ATOM 22 C LIG 1 8.767 0.107 -1.353 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.041 -1.202 -1.058 0.00 0.00 +0.133 C ATOM 24 O LIG 1 8.558 -1.853 0.115 0.00 0.00 -0.371 OA ATOM 25 C LIG 1 8.028 -1.399 1.373 0.00 0.00 +0.133 C ATOM 26 C LIG 1 8.741 -0.148 1.879 0.00 0.00 +0.039 C ATOM 27 C LIG 1 6.493 -1.254 1.371 0.00 0.00 +0.137 C ATOM 28 N LIG 1 6.060 -0.435 0.220 0.00 0.00 -0.310 N ATOM 29 C LIG 1 6.505 -1.044 -1.049 0.00 0.00 +0.137 C ENDBRANCH 16 28 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 N LIG 1 -2.785 -1.219 0.380 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.730 -0.853 0.467 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.595 -2.576 0.327 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.545 -3.180 0.143 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.866 -3.347 0.466 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -4.303 -4.293 -0.557 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -5.437 -4.995 -0.370 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -6.240 -4.817 0.866 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -7.274 -5.446 1.051 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -5.747 -3.909 1.771 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -6.291 -3.799 2.619 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -4.588 -3.195 1.589 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.474 -4.421 -1.803 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -4.041 -5.289 -2.688 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -3.411 -3.227 -2.455 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6