REMARK Name = BDB035492 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.626 -1.639 0.245 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.082 -0.399 -0.106 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.612 0.680 -0.304 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.373 -0.578 -0.193 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.339 0.355 -0.521 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.676 -0.063 -0.533 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.991 -1.406 -0.206 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.994 -2.343 0.126 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.676 -1.897 0.123 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.417 -2.639 0.436 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.374 -1.278 0.298 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -3.005 -1.003 0.114 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.005 -1.941 0.417 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.409 -3.194 0.898 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.760 -3.488 1.094 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.733 -2.536 0.803 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.485 -0.272 0.002 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -3.999 1.230 2.420 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.408 0.997 2.254 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.071 0.353 1.238 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -7.364 0.375 1.511 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -7.548 1.029 2.702 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.367 1.394 3.138 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.096 0.800 -1.036 0.00 0.00 +0.006 C ATOM 25 C LIG 1 -6.263 1.626 -1.659 0.00 0.00 +0.023 C ATOM 26 C LIG 1 -6.267 0.646 -2.855 0.00 0.00 +0.092 C ATOM 27 C LIG 1 -4.803 0.306 -2.485 0.00 0.00 +0.023 C BRANCH 26 28 ATOM 28 C LIG 1 -6.461 1.242 -4.158 0.00 0.00 +0.066 C ATOM 29 N LIG 1 -6.611 1.716 -5.206 0.00 0.00 -0.196 NA ENDBRANCH 26 28 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.331 -3.766 0.481 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.700 -4.658 -0.332 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.942 -4.083 1.747 0.00 0.00 -0.166 F ATOM 33 F LIG 1 4.656 -4.058 0.406 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 4.785 0.910 -0.871 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 5.564 1.217 0.328 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 4.953 1.668 1.009 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 6.781 1.984 0.026 0.00 0.00 +0.017 C ATOM 38 C LIG 1 7.846 1.049 -0.615 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.858 1.603 0.409 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.658 1.954 1.314 0.00 0.00 +0.022 C ATOM 41 C LIG 1 6.546 3.359 -0.572 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9