REMARK Name = BDB011188 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.051 4.785 1.849 0.00 0.00 +0.146 A ATOM 2 C LIG 1 0.660 3.767 1.086 0.00 0.00 +0.114 A ATOM 3 N LIG 1 1.916 3.942 0.629 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 2.455 3.019 -0.190 0.00 0.00 +0.127 A ATOM 5 C LIG 1 1.826 1.835 -0.512 0.00 0.00 +0.082 A ATOM 6 C LIG 1 0.601 1.550 0.063 0.00 0.00 +0.070 A ATOM 7 N LIG 1 0.117 0.210 -0.094 0.00 0.00 -0.289 N ATOM 8 C LIG 1 0.601 -0.625 -1.118 0.00 0.00 +0.337 A ATOM 9 O LIG 1 0.175 -1.781 -1.216 0.00 0.00 -0.246 OA ATOM 10 N LIG 1 1.621 -0.117 -1.934 0.00 0.00 -0.228 N ATOM 11 C LIG 1 2.430 0.926 -1.487 0.00 0.00 +0.270 A ATOM 12 O LIG 1 3.570 1.198 -1.854 0.00 0.00 -0.266 OA ATOM 13 C LIG 1 -0.069 2.587 0.787 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.438 2.557 1.152 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -2.033 3.577 1.889 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -1.282 4.681 2.258 0.00 0.00 +0.048 A ENDROOT BRANCH 10 17 ATOM 17 C LIG 1 1.980 -0.874 -3.121 0.00 0.00 +0.058 A ATOM 18 C LIG 1 0.967 -1.498 -3.880 0.00 0.00 +0.076 A ATOM 19 C LIG 1 1.309 -2.189 -5.026 0.00 0.00 +0.168 A ATOM 20 O LIG 1 0.441 -2.830 -5.855 0.00 0.00 -0.453 OA ATOM 21 C LIG 1 1.351 -3.360 -6.842 0.00 0.00 +0.466 C ATOM 22 O LIG 1 2.728 -3.006 -6.599 0.00 0.00 -0.453 OA ATOM 23 C LIG 1 2.608 -2.287 -5.453 0.00 0.00 +0.166 A ATOM 24 C LIG 1 3.633 -1.696 -4.756 0.00 0.00 +0.051 A ATOM 25 C LIG 1 3.312 -0.986 -3.589 0.00 0.00 +0.030 A ENDBRANCH 10 17 BRANCH 7 26 ATOM 26 C LIG 1 -0.576 -0.459 1.046 0.00 0.00 +0.095 C ATOM 27 C LIG 1 0.350 -1.454 1.775 0.00 0.00 +0.042 C ATOM 28 C LIG 1 -0.357 -2.116 2.956 0.00 0.00 +0.111 C ATOM 29 N LIG 1 -1.780 -2.451 2.655 0.00 0.00 -0.181 NA ATOM 30 C LIG 1 -2.076 -2.509 1.204 0.00 0.00 +0.111 C ATOM 31 C LIG 1 -1.921 -1.099 0.643 0.00 0.00 +0.042 C BRANCH 29 32 ATOM 32 S LIG 1 -2.396 -3.724 3.607 0.00 0.00 +0.029 S ATOM 33 O LIG 1 -1.921 -3.522 4.960 0.00 0.00 -0.158 OA ATOM 34 O LIG 1 -2.157 -4.962 2.900 0.00 0.00 -0.158 OA ATOM 35 C LIG 1 -4.144 -3.380 3.600 0.00 0.00 +0.215 C ENDBRANCH 29 32 ENDBRANCH 7 26 BRANCH 1 37 ATOM 36 C LIG 1 0.297 6.924 2.912 0.00 0.00 +0.277 C ATOM 37 O LIG 1 0.849 5.873 2.133 0.00 0.00 -0.493 OA ENDBRANCH 1 37 TORSDOF 4