REMARK Name = BDB065052 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.716 -1.540 -0.346 0.00 0.00 +0.165 A ATOM 2 N LIG 1 2.987 -0.611 -0.989 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 2.523 -0.912 -2.216 0.00 0.00 +0.148 A ATOM 4 C LIG 1 2.762 -2.136 -2.818 0.00 0.00 +0.036 A ATOM 5 C LIG 1 2.251 -2.439 -4.145 0.00 0.00 +0.018 A ATOM 6 C LIG 1 1.539 -1.510 -4.790 0.00 0.00 +0.071 A ATOM 7 C LIG 1 1.258 -0.181 -4.188 0.00 0.00 +0.253 A ATOM 8 O LIG 1 0.598 0.622 -4.844 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 3.505 -3.029 -2.076 0.00 0.00 +0.124 A ATOM 10 N LIG 1 1.767 0.060 -2.924 0.00 0.00 -0.288 N ATOM 11 N LIG 1 3.983 -2.764 -0.846 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 4.562 0.046 1.455 0.00 0.00 +0.131 A ATOM 13 C LIG 1 4.186 -1.246 1.022 0.00 0.00 +0.061 A ATOM 14 C LIG 1 4.254 -2.294 1.968 0.00 0.00 +0.015 A ATOM 15 C LIG 1 4.670 -2.075 3.283 0.00 0.00 +0.001 A ATOM 16 C LIG 1 5.040 -0.799 3.685 0.00 0.00 +0.004 A ATOM 17 C LIG 1 4.995 0.256 2.774 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 4.241 2.353 1.021 0.00 0.00 +0.277 C ATOM 19 O LIG 1 4.570 1.060 0.526 0.00 0.00 -0.494 OA ENDBRANCH 12 19 ENDBRANCH 1 13 BRANCH 10 20 ATOM 20 C LIG 1 1.511 1.346 -2.287 0.00 0.00 +0.162 C BRANCH 20 21 ATOM 21 C LIG 1 0.262 1.341 -1.430 0.00 0.00 -0.028 A ATOM 22 C LIG 1 0.344 1.117 -0.049 0.00 0.00 +0.006 A ATOM 23 C LIG 1 -0.809 1.107 0.739 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -2.067 1.305 0.160 0.00 0.00 +0.017 A ATOM 25 C LIG 1 -2.151 1.545 -1.217 0.00 0.00 +0.012 A ATOM 26 C LIG 1 -0.998 1.554 -2.006 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 -3.261 1.288 1.003 0.00 0.00 +0.142 A ATOM 28 N LIG 1 -4.330 0.421 0.872 0.00 0.00 -0.327 N ATOM 29 C LIG 1 -5.257 0.755 1.828 0.00 0.00 +0.120 A ATOM 30 C LIG 1 -4.703 1.790 2.557 0.00 0.00 +0.162 A ATOM 31 N LIG 1 -3.455 2.090 2.035 0.00 0.00 -0.224 NA BRANCH 30 32 ATOM 32 C LIG 1 -5.279 2.522 3.733 0.00 0.00 +0.436 C ATOM 33 F LIG 1 -6.493 2.019 4.097 0.00 0.00 -0.164 F ATOM 34 F LIG 1 -4.487 2.441 4.835 0.00 0.00 -0.164 F ATOM 35 F LIG 1 -5.474 3.843 3.479 0.00 0.00 -0.164 F ENDBRANCH 30 32 BRANCH 28 36 ATOM 36 C LIG 1 -4.457 -0.691 -0.067 0.00 0.00 +0.083 C ATOM 37 C LIG 1 -5.572 -0.437 -1.082 0.00 0.00 +0.030 C ATOM 38 C LIG 1 -4.659 -2.026 0.654 0.00 0.00 +0.030 C ENDBRANCH 28 36 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 10 20 TORSDOF 7