REMARK Name = BDB025676 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.290 -1.020 0.041 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.737 -0.097 -0.270 0.00 0.00 +0.056 A ATOM 3 C LIG 1 2.067 -0.519 -0.364 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.415 -1.867 -0.155 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.379 -2.763 0.155 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.646 -4.064 0.350 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.049 -2.356 0.254 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.627 -2.054 -0.794 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.936 -0.690 -0.947 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.274 0.272 0.116 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.660 0.703 0.145 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.643 0.002 1.429 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.567 -0.609 2.493 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.338 -0.853 1.345 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.620 -0.542 0.098 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.391 -0.869 -1.129 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.821 -2.307 -0.257 0.00 0.00 -0.011 A ATOM 18 C LIG 1 4.404 -3.108 0.744 0.00 0.00 +0.058 A ATOM 19 C LIG 1 5.724 -3.488 0.606 0.00 0.00 +0.167 A ATOM 20 O LIG 1 6.425 -4.255 1.484 0.00 0.00 -0.453 OA ATOM 21 C LIG 1 7.710 -4.311 0.830 0.00 0.00 +0.466 C ATOM 22 O LIG 1 7.751 -3.587 -0.417 0.00 0.00 -0.453 OA ATOM 23 C LIG 1 6.480 -3.107 -0.475 0.00 0.00 +0.166 A ATOM 24 C LIG 1 5.959 -2.325 -1.480 0.00 0.00 +0.050 A ATOM 25 C LIG 1 4.622 -1.925 -1.364 0.00 0.00 +0.012 A ENDBRANCH 4 17 BRANCH 2 26 ATOM 26 N LIG 1 0.310 1.235 -0.444 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -0.690 1.335 -0.267 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 1.057 2.337 -0.769 0.00 0.00 +0.250 C ATOM 29 O LIG 1 2.260 2.388 -0.988 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 0.243 3.588 -0.822 0.00 0.00 +0.065 A ATOM 31 C LIG 1 0.527 4.736 0.035 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -0.242 5.839 -0.064 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -1.355 5.901 -1.043 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -2.059 6.896 -1.142 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -1.534 4.778 -1.812 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -2.291 4.825 -2.486 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -0.759 3.650 -1.715 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 1.643 4.636 1.032 0.00 0.00 +0.418 C ATOM 39 F LIG 1 1.573 3.500 1.771 0.00 0.00 -0.166 F ATOM 40 F LIG 1 1.609 5.664 1.926 0.00 0.00 -0.166 F ATOM 41 F LIG 1 2.866 4.684 0.453 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 5