REMARK Name = BDB008778 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.037 -0.265 0.651 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.763 0.089 1.098 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.583 0.550 2.390 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.717 0.869 2.631 0.00 0.00 -0.206 NA ATOM 5 C LIG 1 1.380 0.613 1.514 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -1.562 0.663 3.297 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.740 0.263 2.815 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.516 0.069 0.570 0.00 0.00 -0.314 N ATOM 9 N LIG 1 -3.026 -0.189 1.562 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.817 0.876 1.341 0.00 0.00 +0.107 A ATOM 11 N LIG 1 3.268 0.961 0.069 0.00 0.00 -0.252 NA ATOM 12 C LIG 1 4.574 1.256 -0.098 0.00 0.00 +0.112 A ATOM 13 C LIG 1 5.457 1.464 0.949 0.00 0.00 +0.023 A ATOM 14 C LIG 1 4.999 1.372 2.267 0.00 0.00 -0.041 A ATOM 15 C LIG 1 3.640 1.082 2.447 0.00 0.00 +0.035 A BRANCH 14 16 ATOM 16 C LIG 1 5.915 1.621 3.438 0.00 0.00 +0.019 C ATOM 17 C LIG 1 6.083 0.569 4.510 0.00 0.00 +0.009 C ATOM 18 C LIG 1 7.210 0.850 3.563 0.00 0.00 +0.009 C ENDBRANCH 14 16 ENDBRANCH 5 10 BRANCH 1 19 ATOM 19 N LIG 1 -2.282 -0.671 -0.647 0.00 0.00 -0.324 N ATOM 20 H LIG 1 -1.703 -0.148 -1.299 0.00 0.00 +0.148 HD BRANCH 19 22 ATOM 21 C LIG 1 -4.609 0.218 -0.944 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -3.616 -0.912 -1.206 0.00 0.00 +0.072 C BRANCH 22 23 ATOM 23 C LIG 1 -4.221 -2.281 -0.884 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -3.380 -3.533 -1.270 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -4.114 -4.277 -0.134 0.00 0.00 +0.001 C ATOM 26 C LIG 1 -4.291 -2.901 0.544 0.00 0.00 +0.005 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 1 19 BRANCH 7 27 ATOM 27 C LIG 1 -3.923 0.290 3.747 0.00 0.00 +0.375 C ATOM 28 O LIG 1 -3.931 0.686 4.899 0.00 0.00 -0.242 OA BRANCH 27 29 ATOM 29 O LIG 1 -5.031 -0.204 3.124 0.00 0.00 -0.475 OA ATOM 30 H LIG 1 -4.789 -0.475 2.208 0.00 0.00 +0.296 HD ENDBRANCH 27 29 ENDBRANCH 7 27 BRANCH 8 31 ATOM 31 C LIG 1 0.904 -0.600 -0.668 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 C LIG 1 0.683 0.216 -1.923 0.00 0.00 -0.025 A ATOM 33 C LIG 1 0.751 1.617 -1.952 0.00 0.00 +0.044 A ATOM 34 C LIG 1 0.567 2.308 -3.148 0.00 0.00 +0.135 A ATOM 35 F LIG 1 0.628 3.647 -3.134 0.00 0.00 -0.205 F ATOM 36 C LIG 1 0.328 1.641 -4.345 0.00 0.00 +0.090 A ATOM 37 C LIG 1 0.267 0.241 -4.329 0.00 0.00 +0.015 A ATOM 38 C LIG 1 0.450 -0.461 -3.133 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 0.133 2.434 -5.601 0.00 0.00 +0.420 C ATOM 40 F LIG 1 -1.048 3.110 -5.614 0.00 0.00 -0.166 F ATOM 41 F LIG 1 1.109 3.357 -5.816 0.00 0.00 -0.166 F ATOM 42 F LIG 1 0.118 1.653 -6.721 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 10