REMARK Name = BDB027085 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.723 -1.881 1.235 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.202 -2.876 2.266 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.345 -4.115 1.892 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.809 -5.008 2.860 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.720 -4.685 4.212 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.158 -3.471 4.600 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.306 -2.575 3.635 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.100 -2.278 0.833 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -1.989 -3.067 0.190 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -2.828 -1.217 0.124 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 -3.364 -0.126 1.064 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 -5.656 2.818 -1.124 0.00 0.00 +0.120 A ATOM 13 C LIG 1 -4.267 2.917 -1.057 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -3.526 1.968 -0.344 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -4.167 0.909 0.313 0.00 0.00 -0.046 A ATOM 16 C LIG 1 -5.560 0.811 0.238 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -6.295 1.761 -0.473 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 -5.888 4.755 -2.482 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -6.494 3.674 -1.784 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 0.215 -1.780 -0.002 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -0.046 -2.404 -1.037 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 1.413 -0.933 0.088 0.00 0.00 +0.044 A ATOM 23 C LIG 1 2.324 -0.599 -0.974 0.00 0.00 +0.010 A ATOM 24 C LIG 1 3.324 0.228 -0.449 0.00 0.00 +0.051 A ATOM 25 C LIG 1 4.388 0.750 -1.219 0.00 0.00 -0.021 A ATOM 26 C LIG 1 4.391 0.385 -2.582 0.00 0.00 +0.006 A ATOM 27 C LIG 1 3.413 -0.435 -3.135 0.00 0.00 +0.001 A ATOM 28 N LIG 1 3.032 0.381 0.888 0.00 0.00 -0.360 N ATOM 29 H LIG 1 3.589 0.920 1.536 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 2.379 -0.931 -2.343 0.00 0.00 +0.011 A ATOM 31 C LIG 1 1.892 -0.299 1.220 0.00 0.00 +0.095 A BRANCH 25 32 ATOM 32 C LIG 1 5.502 1.649 -0.703 0.00 0.00 +0.015 C ATOM 33 C LIG 1 4.967 2.985 -0.186 0.00 0.00 +0.012 C ATOM 34 C LIG 1 6.365 0.946 0.347 0.00 0.00 +0.012 C ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 9