REMARK Name = BDB035759 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.642 0.535 -0.317 0.00 0.00 -0.030 A ATOM 2 C LIG 1 3.739 0.739 -1.717 0.00 0.00 +0.014 A ATOM 3 C LIG 1 2.601 0.861 -2.540 0.00 0.00 +0.023 A ATOM 4 C LIG 1 1.358 0.781 -1.922 0.00 0.00 -0.009 A ATOM 5 C LIG 1 -0.015 0.875 -2.504 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.892 0.719 -1.350 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.155 0.529 -0.177 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.513 0.333 0.970 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.264 0.583 -0.549 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.372 0.457 0.271 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.308 0.762 -1.464 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.139 0.711 -0.336 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.544 0.734 -0.442 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -5.122 0.815 -1.715 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.315 0.883 -2.846 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.923 0.861 -2.721 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.399 0.664 0.820 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 -6.329 -0.515 0.796 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -5.946 -1.822 0.970 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.620 -2.331 1.193 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -7.082 -2.566 0.877 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -8.107 -1.777 0.663 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -7.636 -0.488 0.610 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -6.169 1.979 0.982 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -5.331 3.202 1.384 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -5.819 3.139 2.745 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -6.833 2.182 2.353 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 2.763 1.025 -4.026 0.00 0.00 +0.372 C ATOM 29 F LIG 1 1.625 1.441 -4.650 0.00 0.00 -0.204 F ATOM 30 F LIG 1 3.717 1.940 -4.353 0.00 0.00 -0.204 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 31 C LIG 1 5.576 1.771 0.693 0.00 0.00 +0.029 C ATOM 32 C LIG 1 4.886 0.409 0.555 0.00 0.00 +0.081 C BRANCH 32 33 ATOM 33 N LIG 1 5.808 -0.587 -0.015 0.00 0.00 -0.304 NA ATOM 34 H LIG 1 6.595 -0.119 -0.461 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 6.200 -1.631 0.943 0.00 0.00 +0.017 C ATOM 36 C LIG 1 4.993 -2.571 1.226 0.00 0.00 +0.022 C ATOM 37 C LIG 1 5.937 -3.760 0.952 0.00 0.00 +0.004 C ATOM 38 C LIG 1 6.800 -2.800 0.106 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.058 -1.148 2.096 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 8