REMARK Name = BDB035380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.759 0.765 -0.367 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.390 1.540 -0.569 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.550 2.603 -1.141 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.503 0.835 0.080 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.834 1.199 0.151 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.714 0.351 0.841 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.221 -0.843 1.421 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.861 -1.199 1.339 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.013 -0.331 0.655 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.455 -0.436 0.398 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.476 0.429 -0.976 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.149 0.198 -0.538 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.071 1.057 -0.836 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.341 2.191 -1.603 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.632 2.456 -2.059 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.675 1.588 -1.750 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.718 -0.547 -0.630 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -5.456 -1.958 -0.003 0.00 0.00 +0.050 C ATOM 19 C LIG 1 -5.413 -2.530 -1.436 0.00 0.00 +0.117 C ATOM 20 C LIG 1 -6.307 -1.343 -1.854 0.00 0.00 +0.050 C BRANCH 17 23 ATOM 21 C LIG 1 -5.572 0.798 2.285 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -6.711 0.812 1.411 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.822 0.256 0.166 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -8.019 0.525 -0.314 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -8.703 1.251 0.632 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -7.904 1.417 1.660 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 O LIG 1 -5.971 -3.843 -1.595 0.00 0.00 -0.392 OA ATOM 28 H LIG 1 -6.104 -3.949 -2.554 0.00 0.00 +0.210 HD ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.334 -2.466 1.955 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.815 -3.313 1.024 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.271 -3.179 2.636 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.325 -2.227 2.838 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.186 0.695 0.924 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.862 0.329 -0.320 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.601 -0.626 -0.564 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.315 0.560 -0.256 0.00 0.00 +0.017 C ATOM 37 C LIG 1 7.945 -0.134 -1.502 0.00 0.00 +0.022 C ATOM 38 C LIG 1 9.009 -0.726 -0.552 0.00 0.00 +0.004 C ATOM 39 C LIG 1 7.995 -0.548 0.598 0.00 0.00 +0.022 C ATOM 40 C LIG 1 7.726 2.007 -0.052 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8