REMARK Name = BDB038918 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.267 0.215 -0.168 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.188 -0.591 0.147 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.831 -0.051 0.176 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.743 -1.085 0.318 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.033 -2.463 0.455 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.001 -3.406 0.571 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.658 -3.021 0.579 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.385 -1.655 0.455 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.789 -0.928 0.415 0.00 0.00 -0.326 N ATOM 10 C LIG 1 -0.462 0.409 0.310 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.849 0.555 0.242 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.469 -2.927 0.422 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.387 -0.702 0.332 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.423 -1.827 0.876 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.439 -0.119 -0.027 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.438 1.559 0.306 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.185 2.469 -0.913 0.00 0.00 +0.014 C ATOM 18 C LIG 1 -1.710 3.877 -0.669 0.00 0.00 +0.032 C ATOM 19 C LIG 1 -0.988 4.564 0.502 0.00 0.00 +0.118 C ATOM 20 C LIG 1 -0.474 3.564 1.550 0.00 0.00 +0.032 C ATOM 21 C LIG 1 -1.369 2.329 1.641 0.00 0.00 +0.014 C BRANCH 19 22 ATOM 22 O LIG 1 -1.886 5.464 1.166 0.00 0.00 -0.380 OA ATOM 23 C LIG 1 -2.123 6.661 0.435 0.00 0.00 +0.194 C ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 25 ATOM 24 C LIG 1 6.972 2.291 -0.994 0.00 0.00 +0.282 C ATOM 25 O LIG 1 5.887 1.429 -0.653 0.00 0.00 -0.454 OA ENDBRANCH 1 25 BRANCH 9 26 ATOM 26 C LIG 1 -2.115 -1.521 0.504 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -2.568 -2.176 -0.810 0.00 0.00 +0.147 C BRANCH 27 28 ATOM 28 C LIG 1 -3.752 -3.104 -0.586 0.00 0.00 -0.032 A ATOM 29 C LIG 1 -4.977 -2.628 -0.091 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -6.046 -3.500 0.118 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -5.907 -4.857 -0.164 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -4.699 -5.343 -0.658 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.628 -4.473 -0.869 0.00 0.00 +0.004 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -2.884 -1.114 -1.841 0.00 0.00 +0.314 C ATOM 35 O LIG 1 -3.584 -0.126 -1.679 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 -2.310 -1.354 -3.037 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -2.598 -0.611 -3.608 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 27 34 ENDBRANCH 26 27 ENDBRANCH 9 26 TORSDOF 8