REMARK Name = BDB052610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.228 1.662 -0.592 0.00 0.00 -0.328 N ATOM 2 H LIG 1 -1.540 1.353 0.323 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.810 0.961 -1.644 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -3.017 0.255 -1.508 0.00 0.00 +0.088 A ATOM 5 C LIG 1 -3.472 -0.412 -2.634 0.00 0.00 +0.233 A ATOM 6 O LIG 1 -4.626 -1.072 -2.354 0.00 0.00 -0.436 OA ATOM 7 C LIG 1 -4.945 -0.829 -1.047 0.00 0.00 +0.146 A ATOM 8 N LIG 1 -2.901 -0.451 -3.844 0.00 0.00 -0.200 NA ATOM 9 C LIG 1 -1.776 0.267 -3.870 0.00 0.00 +0.227 A ATOM 10 C LIG 1 -3.976 -0.013 -0.479 0.00 0.00 +0.041 A ATOM 11 N LIG 1 -1.209 0.950 -2.859 0.00 0.00 -0.220 NA BRANCH 7 12 ATOM 12 C LIG 1 -6.188 -1.458 -0.599 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -6.578 -2.704 -1.115 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -7.759 -3.320 -0.692 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -8.569 -2.696 0.253 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -8.202 -1.456 0.770 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -7.021 -0.841 0.345 0.00 0.00 +0.011 A ENDBRANCH 7 12 BRANCH 10 18 ATOM 18 C LIG 1 -3.974 0.423 0.904 0.00 0.00 -0.014 A ATOM 19 C LIG 1 -4.084 1.786 1.207 0.00 0.00 +0.008 A ATOM 20 C LIG 1 -4.067 2.212 2.536 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -3.940 1.280 3.566 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.829 -0.078 3.269 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -3.844 -0.507 1.941 0.00 0.00 +0.008 A ENDBRANCH 10 18 ENDBRANCH 1 3 BRANCH 1 24 ATOM 24 C LIG 1 0.190 1.990 -0.687 0.00 0.00 +0.107 C BRANCH 24 25 ATOM 25 C LIG 1 1.075 0.760 -0.453 0.00 0.00 +0.054 C BRANCH 25 29 ATOM 26 C LIG 1 5.263 1.790 -0.505 0.00 0.00 +0.048 A ATOM 27 C LIG 1 4.590 1.678 0.711 0.00 0.00 +0.025 A ATOM 28 C LIG 1 3.234 1.340 0.731 0.00 0.00 +0.005 A ATOM 29 C LIG 1 2.543 1.111 -0.466 0.00 0.00 -0.046 A ATOM 30 C LIG 1 3.228 1.235 -1.683 0.00 0.00 +0.005 A ATOM 31 C LIG 1 4.582 1.572 -1.701 0.00 0.00 +0.025 A BRANCH 26 32 ATOM 32 N LIG 1 6.651 2.100 -0.500 0.00 0.00 -0.216 N ATOM 33 H LIG 1 7.018 2.631 0.287 0.00 0.00 +0.174 HD BRANCH 32 35 ATOM 34 O LIG 1 7.476 0.629 -2.437 0.00 0.00 -0.150 OA ATOM 35 S LIG 1 7.758 0.951 -1.055 0.00 0.00 +0.072 S ATOM 36 O LIG 1 9.065 1.430 -0.651 0.00 0.00 -0.150 OA BRANCH 35 37 ATOM 37 C LIG 1 7.386 -0.479 -0.064 0.00 0.00 +0.108 A ATOM 38 C LIG 1 6.528 -1.464 -0.561 0.00 0.00 +0.029 A ATOM 39 C LIG 1 6.249 -2.587 0.218 0.00 0.00 +0.002 A ATOM 40 C LIG 1 6.836 -2.728 1.476 0.00 0.00 +0.000 A ATOM 41 C LIG 1 7.708 -1.751 1.960 0.00 0.00 +0.002 A ATOM 42 C LIG 1 7.990 -0.624 1.189 0.00 0.00 +0.029 A ENDBRANCH 35 37 ENDBRANCH 32 35 ENDBRANCH 26 32 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9