REMARK Name = BDB035664 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.645 -0.826 -0.333 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -3.788 -1.853 0.636 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -2.682 -2.401 1.315 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.424 -1.901 0.994 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.081 -2.273 1.531 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.835 -1.407 0.802 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.146 -0.583 -0.094 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.545 0.258 -0.877 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.282 -0.901 0.041 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.358 -0.350 -0.630 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.242 -1.448 1.008 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.123 -0.624 0.291 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.524 -0.661 0.485 0.00 0.00 -0.035 A ATOM 14 C LIG 1 5.035 -1.554 1.434 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.178 -2.380 2.159 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.799 -2.328 1.947 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.390 0.280 -0.352 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 5.276 1.738 0.013 0.00 0.00 +0.141 A ATOM 19 N LIG 1 5.207 2.299 1.265 0.00 0.00 -0.320 N ATOM 20 C LIG 1 5.222 1.658 2.551 0.00 0.00 +0.151 C ATOM 21 C LIG 1 5.145 3.647 1.073 0.00 0.00 +0.224 A ATOM 22 N LIG 1 5.197 3.913 -0.208 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 5.281 2.718 -0.874 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 6.865 -0.116 -0.384 0.00 0.00 +0.055 C ATOM 25 C LIG 1 7.224 -1.424 -1.110 0.00 0.00 +0.166 C ATOM 26 O LIG 1 8.300 -0.762 -1.821 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 7.720 0.529 -1.492 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 -2.842 -3.485 2.346 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -4.133 -3.854 2.562 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -2.344 -3.120 3.559 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.177 -4.623 2.002 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 -4.891 -0.285 -1.036 0.00 0.00 +0.084 C BRANCH 32 34 ATOM 33 C LIG 1 -4.293 -1.308 -3.359 0.00 0.00 +0.006 C ATOM 34 C LIG 1 -5.305 -1.186 -2.224 0.00 0.00 +0.020 C ENDBRANCH 32 34 BRANCH 32 35 ATOM 35 N LIG 1 -4.718 1.121 -1.428 0.00 0.00 -0.304 NA ATOM 36 H LIG 1 -4.525 1.197 -2.424 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -5.784 2.019 -0.947 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -5.264 3.474 -1.149 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -4.650 3.413 0.265 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -5.627 2.264 0.582 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -7.156 1.743 -1.522 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 32 35 ENDBRANCH 1 32 TORSDOF 9