REMARK Name = BDB000288 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.079 -0.753 0.541 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -0.940 0.074 0.496 0.00 0.00 +0.036 A ATOM 3 C LIG 1 0.357 -0.458 0.395 0.00 0.00 +0.079 A ATOM 4 N LIG 1 1.515 0.368 0.372 0.00 0.00 -0.265 N ATOM 5 C LIG 1 2.767 -0.186 0.112 0.00 0.00 +0.265 C ATOM 6 C LIG 1 2.776 -1.705 -0.158 0.00 0.00 +0.292 C ATOM 7 O LIG 1 1.687 -2.505 0.266 0.00 0.00 -0.473 OA ATOM 8 O LIG 1 3.791 0.497 0.026 0.00 0.00 -0.271 OA ATOM 9 C LIG 1 0.493 -1.849 0.334 0.00 0.00 +0.143 A ATOM 10 C LIG 1 -0.626 -2.683 0.395 0.00 0.00 +0.048 A ATOM 11 C LIG 1 -1.905 -2.140 0.493 0.00 0.00 +0.012 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 4.022 -2.361 0.408 0.00 0.00 +0.040 A ATOM 13 C LIG 1 4.283 -2.304 1.782 0.00 0.00 +0.166 A ATOM 14 F LIG 1 3.430 -1.664 2.596 0.00 0.00 -0.202 F ATOM 15 C LIG 1 5.416 -2.908 2.315 0.00 0.00 +0.159 A ATOM 16 F LIG 1 5.655 -2.848 3.633 0.00 0.00 -0.202 F ATOM 17 C LIG 1 6.311 -3.583 1.492 0.00 0.00 +0.041 A ATOM 18 C LIG 1 6.065 -3.654 0.121 0.00 0.00 +0.003 A ATOM 19 C LIG 1 4.925 -3.048 -0.420 0.00 0.00 +0.011 A ENDBRANCH 6 12 BRANCH 1 21 ATOM 20 C LIG 1 -4.166 0.257 -0.444 0.00 0.00 +0.056 A ATOM 21 C LIG 1 -3.422 -0.170 0.655 0.00 0.00 +0.043 A ATOM 22 C LIG 1 -4.051 0.009 1.892 0.00 0.00 +0.129 A ATOM 23 N LIG 1 -5.277 0.533 2.021 0.00 0.00 -0.199 NA ATOM 24 C LIG 1 -5.912 0.884 0.907 0.00 0.00 +0.214 A ATOM 25 N LIG 1 -5.404 0.787 -0.321 0.00 0.00 -0.219 NA BRANCH 22 26 ATOM 26 N LIG 1 -3.417 -0.365 3.092 0.00 0.00 -0.343 N ATOM 27 H LIG 1 -2.527 0.117 3.176 0.00 0.00 +0.144 HD ATOM 28 H LIG 1 -3.220 -1.361 3.075 0.00 0.00 +0.144 HD ENDBRANCH 22 26 BRANCH 24 29 ATOM 29 N LIG 1 -7.170 1.435 1.034 0.00 0.00 -0.327 N ATOM 30 H LIG 1 -7.272 1.822 1.962 0.00 0.00 +0.145 HD ATOM 31 H LIG 1 -7.358 2.043 0.250 0.00 0.00 +0.145 HD ENDBRANCH 24 29 BRANCH 20 33 ATOM 32 C LIG 1 -4.114 -1.170 -2.509 0.00 0.00 +0.010 C ATOM 33 C LIG 1 -3.671 0.136 -1.866 0.00 0.00 +0.053 C ENDBRANCH 20 33 ENDBRANCH 1 21 BRANCH 4 34 ATOM 34 C LIG 1 1.438 1.815 0.566 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 C LIG 1 1.225 2.559 -0.751 0.00 0.00 +0.047 C BRANCH 35 36 ATOM 36 C LIG 1 1.190 4.067 -0.530 0.00 0.00 +0.161 C BRANCH 36 37 ATOM 37 O LIG 1 0.844 4.754 -1.731 0.00 0.00 -0.383 OA ATOM 38 C LIG 1 1.948 4.935 -2.609 0.00 0.00 +0.193 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 9