REMARK Name = BDB035535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.510 1.696 -0.086 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.028 0.592 0.583 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.496 -0.427 0.996 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.458 0.862 0.769 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.420 0.059 1.357 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.746 0.529 1.417 0.00 0.00 -0.029 A ATOM 7 C LIG 1 4.031 1.813 0.889 0.00 0.00 +0.018 A ATOM 8 C LIG 1 3.038 2.621 0.295 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.745 2.114 0.245 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.498 2.724 -0.308 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.139 0.918 -0.797 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.778 0.796 -0.433 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.860 1.856 -0.501 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.319 3.082 -0.994 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.653 3.247 -1.366 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.546 2.182 -1.259 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -5.917 -2.106 -1.644 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.018 -0.602 -1.974 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.173 -0.302 -0.683 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -4.644 -1.767 -0.836 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -6.075 -0.122 0.614 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.673 -0.095 1.923 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.343 -0.214 2.454 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.806 0.076 2.658 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -7.843 0.148 1.859 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.384 0.026 0.570 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -6.869 -3.273 -3.541 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -5.714 -2.997 -2.761 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.358 3.978 -0.273 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.597 4.960 0.285 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.652 4.359 -0.097 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.122 4.043 -1.612 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.810 -0.359 2.064 0.00 0.00 +0.081 C ATOM 34 C LIG 1 6.100 0.350 2.495 0.00 0.00 +0.029 C BRANCH 33 35 ATOM 35 N LIG 1 5.022 -1.627 1.345 0.00 0.00 -0.304 NA ATOM 36 H LIG 1 4.118 -2.057 1.155 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 5.931 -1.635 0.190 0.00 0.00 +0.017 C ATOM 38 C LIG 1 5.986 -3.124 -0.292 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.519 -2.977 -0.370 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.397 -1.842 0.666 0.00 0.00 +0.022 C ATOM 41 C LIG 1 5.639 -0.649 -0.924 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 6 33 TORSDOF 8