REMARK Name = BDB048194 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.296 2.872 -0.578 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.940 1.593 -0.993 0.00 0.00 +0.051 A ATOM 3 C LIG 1 0.325 1.367 -2.240 0.00 0.00 -0.024 A ATOM 4 C LIG 1 0.068 2.477 -3.073 0.00 0.00 -0.042 A ATOM 5 C LIG 1 0.399 3.769 -2.613 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.004 3.969 -1.371 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.858 3.005 0.660 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 3.246 3.364 0.608 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 4.164 2.219 0.162 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 4.755 1.474 3.419 0.00 0.00 +0.088 C ATOM 11 C LIG 1 4.236 0.702 2.278 0.00 0.00 +0.126 A ATOM 12 C LIG 1 3.989 0.965 0.947 0.00 0.00 +0.086 A ATOM 13 N LIG 1 3.500 -0.173 0.341 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 3.420 -1.057 1.317 0.00 0.00 +0.228 A ATOM 15 O LIG 1 3.867 -0.592 2.526 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 2.899 -2.419 1.274 0.00 0.00 +0.037 A ATOM 17 C LIG 1 2.729 -3.190 2.433 0.00 0.00 +0.013 A ATOM 18 C LIG 1 2.201 -4.482 2.359 0.00 0.00 +0.001 A ATOM 19 C LIG 1 1.838 -5.019 1.125 0.00 0.00 +0.000 A ATOM 20 C LIG 1 2.004 -4.269 -0.037 0.00 0.00 +0.001 A ATOM 21 C LIG 1 2.531 -2.977 0.038 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 0.003 -0.060 -2.622 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 N LIG 1 -0.678 -0.777 -1.561 0.00 0.00 -0.311 N ATOM 24 H LIG 1 -0.100 -1.269 -0.891 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 -1.982 -0.497 -1.212 0.00 0.00 +0.214 C ATOM 26 O LIG 1 -2.699 0.281 -1.837 0.00 0.00 -0.276 OA BRANCH 25 27 ATOM 27 C LIG 1 -2.429 -1.247 0.025 0.00 0.00 +0.100 C BRANCH 27 28 ATOM 28 C LIG 1 -3.859 -0.888 0.419 0.00 0.00 +0.044 C BRANCH 28 29 ATOM 29 C LIG 1 -4.265 -1.579 1.696 0.00 0.00 -0.047 A ATOM 30 C LIG 1 -4.735 -2.900 1.673 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -5.089 -3.544 2.860 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.973 -2.878 4.078 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.505 -1.565 4.112 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.149 -0.919 2.927 0.00 0.00 +0.003 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 23 ENDBRANCH 3 22 BRANCH 4 35 ATOM 35 C LIG 1 -0.565 2.367 -4.447 0.00 0.00 +0.046 C BRANCH 35 36 ATOM 36 C LIG 1 -2.071 2.127 -4.454 0.00 0.00 +0.125 C BRANCH 36 37 ATOM 37 C LIG 1 -2.820 3.176 -3.675 0.00 0.00 +0.305 C ATOM 38 O LIG 1 -2.960 4.327 -4.066 0.00 0.00 -0.251 OA BRANCH 37 39 ATOM 39 O LIG 1 -3.320 2.742 -2.499 0.00 0.00 -0.481 OA ATOM 40 H LIG 1 -3.086 1.805 -2.275 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 14