REMARK Name = BDB036565 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.849 0.181 -1.415 0.00 0.00 +0.078 A ATOM 2 C LIG 1 0.912 -0.550 -2.197 0.00 0.00 +0.142 A ATOM 3 C LIG 1 0.155 -1.599 -1.645 0.00 0.00 +0.062 A ATOM 4 C LIG 1 0.340 -1.911 -0.286 0.00 0.00 +0.068 A ATOM 5 C LIG 1 1.253 -1.180 0.447 0.00 0.00 +0.171 A ATOM 6 O LIG 1 1.260 -1.625 1.730 0.00 0.00 -0.353 OA ATOM 7 N LIG 1 0.345 -2.654 1.866 0.00 0.00 -0.061 NA ATOM 8 C LIG 1 -0.203 -2.821 0.660 0.00 0.00 +0.188 A ATOM 9 C LIG 1 2.029 -0.142 -0.063 0.00 0.00 +0.076 A ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 2.589 1.202 -2.060 0.00 0.00 -0.295 N ATOM 11 H LIG 1 2.134 1.478 -2.928 0.00 0.00 +0.154 HD BRANCH 10 16 ATOM 12 C LIG 1 5.600 2.629 -0.866 0.00 0.00 +0.038 A ATOM 13 N LIG 1 5.117 3.479 -1.819 0.00 0.00 -0.280 N ATOM 14 H LIG 1 5.521 4.352 -2.143 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 3.974 3.065 -2.380 0.00 0.00 -0.158 NA ATOM 16 C LIG 1 3.680 1.927 -1.747 0.00 0.00 +0.145 A ATOM 17 C LIG 1 4.688 1.597 -0.811 0.00 0.00 +0.068 A BRANCH 12 19 ATOM 18 C LIG 1 6.646 3.751 1.091 0.00 0.00 +0.010 C ATOM 19 C LIG 1 6.869 2.875 -0.132 0.00 0.00 +0.051 C ENDBRANCH 12 19 ENDBRANCH 10 16 ENDBRANCH 1 10 BRANCH 2 20 ATOM 20 O LIG 1 0.804 -0.127 -3.504 0.00 0.00 -0.493 OA ATOM 21 C LIG 1 -0.089 -0.836 -4.354 0.00 0.00 +0.277 C ENDBRANCH 2 20 BRANCH 8 22 ATOM 22 N LIG 1 -1.199 -3.745 0.373 0.00 0.00 -0.196 N ATOM 23 H LIG 1 -1.609 -3.769 -0.555 0.00 0.00 +0.175 HD BRANCH 22 24 ATOM 24 S LIG 1 -2.176 -4.448 1.536 0.00 0.00 +0.074 S ATOM 25 O LIG 1 -1.373 -5.305 2.379 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 -3.322 -4.967 0.817 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 -2.762 -3.071 2.489 0.00 0.00 +0.112 A ATOM 28 C LIG 1 -3.367 -2.003 1.822 0.00 0.00 +0.075 A ATOM 29 C LIG 1 -3.747 -0.877 2.550 0.00 0.00 +0.130 A ATOM 30 C LIG 1 -3.599 -0.850 3.938 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -3.015 -1.934 4.599 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -2.583 -3.045 3.874 0.00 0.00 +0.029 A BRANCH 29 33 ATOM 33 O LIG 1 -4.305 0.229 1.947 0.00 0.00 -0.456 OA BRANCH 33 34 ATOM 34 C LIG 1 -3.639 0.712 0.839 0.00 0.00 +0.131 A ATOM 35 C LIG 1 -4.350 0.855 -0.362 0.00 0.00 -0.008 A ATOM 36 C LIG 1 -5.795 0.461 -0.455 0.00 0.00 +0.047 C ATOM 37 C LIG 1 -3.675 1.343 -1.489 0.00 0.00 +0.007 A ATOM 38 C LIG 1 -2.329 1.710 -1.409 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -1.643 1.597 -0.201 0.00 0.00 +0.004 A ATOM 40 C LIG 1 -2.296 1.100 0.925 0.00 0.00 +0.046 A ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 24 27 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 9