REMARK Name = BDB049890 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.665 0.739 0.396 0.00 0.00 -0.006 A ATOM 2 C LIG 1 2.469 0.781 1.126 0.00 0.00 +0.027 A ATOM 3 C LIG 1 1.468 -0.171 0.843 0.00 0.00 +0.033 A ATOM 4 C LIG 1 1.598 -1.133 -0.177 0.00 0.00 +0.038 A ATOM 5 N LIG 1 0.552 -2.059 -0.431 0.00 0.00 -0.300 N ATOM 6 C LIG 1 0.717 -2.918 -1.621 0.00 0.00 +0.111 C ATOM 7 C LIG 1 2.151 -3.407 -1.753 0.00 0.00 +0.024 C ATOM 8 C LIG 1 3.069 -2.212 -1.937 0.00 0.00 +0.038 C ATOM 9 C LIG 1 2.819 -1.178 -0.872 0.00 0.00 -0.025 A ATOM 10 C LIG 1 3.828 -0.237 -0.597 0.00 0.00 +0.014 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -0.832 -1.827 -0.176 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -1.610 -2.848 0.387 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -2.942 -2.583 0.628 0.00 0.00 +0.073 A ATOM 14 N LIG 1 -3.928 -3.416 1.173 0.00 0.00 -0.295 N ATOM 15 C LIG 1 -5.150 -2.715 1.214 0.00 0.00 +0.330 A ATOM 16 N LIG 1 -4.887 -1.433 0.692 0.00 0.00 -0.293 N ATOM 17 C LIG 1 -5.868 -0.404 0.511 0.00 0.00 +0.154 C ATOM 18 O LIG 1 -6.221 -3.140 1.617 0.00 0.00 -0.246 OA ATOM 19 C LIG 1 -3.728 -4.767 1.608 0.00 0.00 +0.154 C ATOM 20 C LIG 1 -3.527 -1.345 0.332 0.00 0.00 +0.091 A ATOM 21 C LIG 1 -2.793 -0.303 -0.225 0.00 0.00 +0.058 A ATOM 22 C LIG 1 -1.436 -0.579 -0.482 0.00 0.00 +0.048 A BRANCH 21 23 ATOM 23 N LIG 1 -3.360 0.958 -0.469 0.00 0.00 -0.324 N ATOM 24 C LIG 1 -2.996 1.938 0.584 0.00 0.00 +0.133 C ATOM 25 C LIG 1 -3.408 3.348 0.135 0.00 0.00 +0.178 C ATOM 26 O LIG 1 -2.731 3.790 -1.053 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 -2.291 2.712 -1.893 0.00 0.00 +0.178 C ATOM 28 C LIG 1 -3.208 1.480 -1.847 0.00 0.00 +0.133 C ENDBRANCH 21 23 ENDBRANCH 5 11 BRANCH 1 33 ATOM 29 C LIG 1 7.084 4.262 -0.243 0.00 0.00 +0.172 C ATOM 30 N LIG 1 6.252 3.231 0.326 0.00 0.00 -0.274 N ATOM 31 N LIG 1 6.427 2.873 1.611 0.00 0.00 -0.179 NA ATOM 32 C LIG 1 5.520 1.912 1.800 0.00 0.00 +0.142 A ATOM 33 C LIG 1 4.750 1.666 0.642 0.00 0.00 +0.020 A ATOM 34 C LIG 1 5.255 2.538 -0.299 0.00 0.00 +0.116 A ENDBRANCH 1 33 BRANCH 2 35 ATOM 35 C LIG 1 2.222 1.797 2.212 0.00 0.00 +0.372 C ATOM 36 F LIG 1 2.847 1.472 3.377 0.00 0.00 -0.204 F ATOM 37 F LIG 1 0.900 1.928 2.531 0.00 0.00 -0.204 F ENDBRANCH 2 35 TORSDOF 4