REMARK Name = BDB064361 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.754 -1.477 0.528 0.00 0.00 -0.290 N ATOM 2 C LIG 1 0.838 -1.534 -0.514 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.918 -2.390 -1.397 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.318 -0.585 -0.572 0.00 0.00 +0.079 A ATOM 5 C LIG 1 -1.483 -1.161 -1.134 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -2.676 -0.445 -1.280 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -2.695 0.888 -0.871 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.560 1.496 -0.306 0.00 0.00 +0.025 A ATOM 9 C LIG 1 -0.353 0.757 -0.159 0.00 0.00 +0.140 A ATOM 10 O LIG 1 0.649 1.503 0.398 0.00 0.00 -0.489 OA ATOM 11 C LIG 1 1.917 0.935 0.683 0.00 0.00 +0.248 C ATOM 12 C LIG 1 1.793 -0.362 1.460 0.00 0.00 +0.149 C ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -1.675 2.904 0.128 0.00 0.00 -0.011 A ATOM 14 C LIG 1 -2.229 3.258 1.382 0.00 0.00 -0.040 A ATOM 15 C LIG 1 -2.708 2.213 2.356 0.00 0.00 +0.044 C ATOM 16 C LIG 1 -2.333 4.615 1.730 0.00 0.00 +0.042 A ATOM 17 C LIG 1 -1.892 5.600 0.853 0.00 0.00 +0.124 A ATOM 18 F LIG 1 -2.001 6.890 1.201 0.00 0.00 -0.205 F ATOM 19 C LIG 1 -1.343 5.269 -0.377 0.00 0.00 +0.039 A ATOM 20 C LIG 1 -1.236 3.926 -0.738 0.00 0.00 +0.012 A ENDBRANCH 8 13 BRANCH 1 21 ATOM 21 C LIG 1 2.873 -2.419 0.542 0.00 0.00 +0.143 C BRANCH 21 26 ATOM 22 C LIG 1 6.328 -0.819 0.265 0.00 0.00 +0.124 A ATOM 23 C LIG 1 6.419 -0.636 -1.117 0.00 0.00 +0.091 A ATOM 24 C LIG 1 5.390 -1.042 -1.969 0.00 0.00 +0.124 A ATOM 25 C LIG 1 4.253 -1.638 -1.426 0.00 0.00 +0.051 A ATOM 26 C LIG 1 4.134 -1.818 -0.038 0.00 0.00 -0.023 A ATOM 27 C LIG 1 5.182 -1.407 0.802 0.00 0.00 +0.051 A BRANCH 22 29 ATOM 28 C LIG 1 7.421 -0.642 2.371 0.00 0.00 +0.277 C ATOM 29 O LIG 1 7.410 -0.375 0.975 0.00 0.00 -0.495 OA ENDBRANCH 22 29 BRANCH 24 30 ATOM 30 O LIG 1 5.614 -0.801 -3.297 0.00 0.00 -0.495 OA ATOM 31 C LIG 1 4.586 -1.188 -4.202 0.00 0.00 +0.277 C ENDBRANCH 24 30 ENDBRANCH 21 26 ENDBRANCH 1 21 BRANCH 6 32 ATOM 32 C LIG 1 -3.912 -1.096 -1.859 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 N LIG 1 -4.986 -1.149 -0.888 0.00 0.00 -0.313 N ATOM 34 C LIG 1 -5.065 -2.038 0.193 0.00 0.00 +0.204 A ATOM 35 N LIG 1 -4.260 -2.975 0.549 0.00 0.00 -0.268 NA ATOM 36 H LIG 1 -3.471 -3.005 -0.094 0.00 0.00 +0.190 HD ATOM 37 N LIG 1 -6.255 -1.688 0.835 0.00 0.00 -0.320 N ATOM 38 C LIG 1 -6.729 -2.349 2.026 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -6.862 -0.632 0.175 0.00 0.00 +0.106 A ATOM 40 C LIG 1 -6.094 -0.305 -0.874 0.00 0.00 +0.107 A ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7