REMARK Name = BDB045794 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.759 -2.688 -0.496 0.00 0.00 +0.058 A ATOM 2 C LIG 1 -2.145 -2.444 -0.651 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -2.907 -3.367 -1.375 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -2.324 -4.524 -1.903 0.00 0.00 +0.002 A ATOM 5 C LIG 1 -0.971 -4.782 -1.709 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.188 -3.869 -1.005 0.00 0.00 +0.015 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 1.393 -1.566 -0.302 0.00 0.00 -0.281 N ATOM 8 H LIG 1 1.592 -2.045 -1.171 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 0.113 -1.694 0.208 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -0.374 -1.032 1.120 0.00 0.00 -0.270 OA BRANCH 7 13 ATOM 11 C LIG 1 4.695 0.111 -0.165 0.00 0.00 -0.045 A ATOM 12 C LIG 1 3.608 -0.679 -0.574 0.00 0.00 +0.027 A ATOM 13 C LIG 1 2.431 -0.742 0.186 0.00 0.00 +0.034 A ATOM 14 C LIG 1 2.354 -0.012 1.371 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.429 0.777 1.787 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.593 0.841 1.023 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.950 0.187 -1.002 0.00 0.00 +0.046 C BRANCH 17 18 ATOM 18 C LIG 1 5.789 1.053 -2.248 0.00 0.00 +0.125 C BRANCH 18 20 ATOM 19 O LIG 1 4.713 3.221 -2.433 0.00 0.00 -0.251 OA ATOM 20 C LIG 1 5.570 2.507 -1.939 0.00 0.00 +0.305 C BRANCH 20 21 ATOM 21 O LIG 1 6.481 3.021 -1.092 0.00 0.00 -0.481 OA ATOM 22 H LIG 1 6.223 3.965 -1.021 0.00 0.00 +0.295 HD ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 11 17 ENDBRANCH 7 13 ENDBRANCH 1 9 BRANCH 2 23 ATOM 23 N LIG 1 -2.711 -1.283 -0.065 0.00 0.00 -0.281 N ATOM 24 H LIG 1 -2.070 -0.783 0.554 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 -4.016 -0.840 -0.118 0.00 0.00 +0.248 C ATOM 26 O LIG 1 -4.948 -1.383 -0.701 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 -4.295 0.420 0.637 0.00 0.00 +0.037 A ATOM 28 C LIG 1 -5.587 0.619 1.140 0.00 0.00 +0.013 A ATOM 29 C LIG 1 -5.900 1.782 1.849 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -4.930 2.774 2.054 0.00 0.00 +0.055 A ATOM 31 C LIG 1 -3.638 2.574 1.543 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -3.323 1.411 0.832 0.00 0.00 +0.013 A BRANCH 30 33 ATOM 33 C LIG 1 -5.260 4.021 2.840 0.00 0.00 +0.417 C ATOM 34 F LIG 1 -4.542 5.109 2.442 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -5.011 3.875 4.170 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -6.569 4.386 2.741 0.00 0.00 -0.166 F ENDBRANCH 30 33 ENDBRANCH 25 27 ENDBRANCH 2 23 TORSDOF 9