REMARK Name = BDB010238 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.923 -1.155 -0.030 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.612 -1.377 0.392 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.360 -2.236 1.450 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -0.966 -2.323 1.732 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.572 -1.621 0.801 0.00 0.00 +0.205 A ATOM 6 N LIG 1 1.304 -2.907 2.127 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 2.531 -2.674 1.630 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.646 -0.950 0.015 0.00 0.00 -0.303 N ATOM 9 N LIG 1 2.872 -1.862 0.610 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.916 -1.476 0.647 0.00 0.00 -0.271 N ATOM 11 C LIG 1 -3.655 -1.923 -0.472 0.00 0.00 +0.040 A ATOM 12 C LIG 1 -5.024 -1.613 -0.609 0.00 0.00 -0.026 A ATOM 13 C LIG 1 -5.737 -1.992 -1.759 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -5.114 -2.722 -2.767 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -3.780 -3.083 -2.628 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.740 -0.867 0.483 0.00 0.00 +0.038 C ATOM 17 C LIG 1 -5.111 -1.222 1.819 0.00 0.00 +0.024 C ATOM 18 C LIG 1 -3.063 -2.691 -1.494 0.00 0.00 +0.024 A ATOM 19 C LIG 1 -3.629 -0.886 1.790 0.00 0.00 +0.114 C ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 2.253 -0.284 -1.050 0.00 0.00 -0.324 N ATOM 21 H LIG 1 1.657 0.532 -1.071 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 4.502 -1.190 -1.709 0.00 0.00 +0.028 C ATOM 23 C LIG 1 3.634 0.037 -1.432 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 4.364 1.034 -0.526 0.00 0.00 +0.009 C ATOM 25 C LIG 1 3.674 2.396 -0.223 0.00 0.00 +0.005 C ATOM 26 C LIG 1 4.478 2.417 1.095 0.00 0.00 +0.001 C ATOM 27 C LIG 1 4.491 0.875 1.018 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 3.639 -3.414 2.331 0.00 0.00 +0.375 C ATOM 29 O LIG 1 4.827 -3.344 2.069 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 3.143 -4.197 3.332 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 2.161 -4.107 3.375 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 -0.958 0.020 -1.027 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 C LIG 1 -0.630 1.452 -0.657 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -0.720 1.940 0.655 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -0.430 3.277 0.941 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.056 4.162 -0.079 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -0.001 3.688 -1.396 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.287 2.350 -1.681 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 0.238 5.611 0.228 0.00 0.00 +0.417 C ATOM 40 F LIG 1 1.183 6.146 -0.596 0.00 0.00 -0.166 F ATOM 41 F LIG 1 0.696 5.809 1.495 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -0.863 6.401 0.098 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 9