REMARK Name = BDB035647 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.195 -1.613 0.218 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.416 -2.280 0.059 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.677 -3.459 -0.087 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.470 -1.258 0.095 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.838 -1.425 -0.022 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.645 -0.281 0.042 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.043 0.990 0.218 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.649 1.141 0.337 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.876 -0.014 0.270 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.394 -0.177 0.355 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.542 -1.973 0.456 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.248 -1.413 0.413 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.097 -2.208 0.255 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.275 -3.590 0.139 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.550 -4.162 0.180 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.676 -3.361 0.337 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.764 -1.069 0.613 0.00 0.00 +0.089 C BRANCH 17 20 ATOM 18 C LIG 1 -4.911 0.630 3.228 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.584 -0.618 2.993 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.543 -1.394 1.863 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -6.305 -2.455 2.067 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -6.840 -2.370 3.329 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.400 -1.261 3.871 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.662 -1.131 -0.646 0.00 0.00 +0.050 C BRANCH 24 25 ATOM 25 C LIG 1 -6.317 0.210 -1.012 0.00 0.00 +0.145 C ATOM 26 O LIG 1 -6.832 0.853 0.167 0.00 0.00 -0.372 OA ATOM 27 C LIG 1 -7.493 2.077 -0.186 0.00 0.00 +0.188 C ATOM 28 C LIG 1 -6.519 3.016 -0.894 0.00 0.00 +0.188 C ATOM 29 O LIG 1 -5.979 2.392 -2.067 0.00 0.00 -0.375 OA ATOM 30 C LIG 1 -5.333 1.156 -1.725 0.00 0.00 +0.191 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 2.011 2.492 0.508 0.00 0.00 +0.418 C ATOM 32 F LIG 1 1.173 2.531 1.583 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.245 2.838 -0.563 0.00 0.00 -0.166 F ATOM 34 F LIG 1 2.897 3.507 0.687 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 6.149 -0.392 -0.092 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.585 0.210 -1.352 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 6.184 -0.327 -2.121 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 8.049 0.364 -1.435 0.00 0.00 +0.017 C ATOM 39 C LIG 1 8.490 1.629 -0.645 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.229 2.471 -1.909 0.00 0.00 +0.004 C ATOM 41 C LIG 1 8.340 1.174 -2.734 0.00 0.00 +0.022 C ATOM 42 C LIG 1 8.844 -0.916 -1.283 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9