REMARK Name = BDB048592 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.987 -0.373 -1.831 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.710 0.164 -3.090 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.387 -0.280 -3.832 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -1.228 -1.277 -3.324 0.00 0.00 -0.037 A ATOM 5 C LIG 1 -0.945 -1.817 -2.062 0.00 0.00 +0.008 A ATOM 6 C LIG 1 0.154 -1.367 -1.320 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 2.086 0.158 -1.215 0.00 0.00 -0.487 OA BRANCH 7 8 ATOM 8 C LIG 1 2.380 -0.307 0.104 0.00 0.00 +0.264 C BRANCH 8 12 ATOM 9 C LIG 1 5.785 1.855 1.762 0.00 0.00 -0.042 A ATOM 10 C LIG 1 4.768 2.522 1.052 0.00 0.00 +0.004 A ATOM 11 C LIG 1 3.679 1.830 0.510 0.00 0.00 +0.007 A ATOM 12 C LIG 1 3.572 0.443 0.652 0.00 0.00 -0.010 A ATOM 13 C LIG 1 4.570 -0.231 1.365 0.00 0.00 +0.007 A ATOM 14 C LIG 1 5.660 0.464 1.907 0.00 0.00 +0.004 A BRANCH 9 16 ATOM 15 C LIG 1 6.451 3.708 3.338 0.00 0.00 +0.015 C ATOM 16 C LIG 1 6.970 2.647 2.341 0.00 0.00 -0.013 C ATOM 17 C LIG 1 7.728 3.353 1.195 0.00 0.00 +0.015 C ATOM 18 C LIG 1 7.997 1.771 3.098 0.00 0.00 +0.015 C ENDBRANCH 9 16 ENDBRANCH 8 12 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 19 ATOM 19 C LIG 1 -2.423 -1.753 -4.114 0.00 0.00 +0.109 C BRANCH 19 20 ATOM 20 S LIG 1 -3.821 -0.583 -4.072 0.00 0.00 -0.120 S BRANCH 20 21 ATOM 21 C LIG 1 -4.362 -0.822 -2.396 0.00 0.00 +0.012 A ATOM 22 C LIG 1 -5.194 -1.866 -2.018 0.00 0.00 -0.027 A ATOM 23 C LIG 1 -5.769 -2.965 -2.861 0.00 0.00 +0.037 C ATOM 24 C LIG 1 -6.887 -3.499 -1.956 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -6.435 -3.252 -0.514 0.00 0.00 +0.039 C ATOM 26 C LIG 1 -5.578 -2.030 -0.676 0.00 0.00 -0.001 A ATOM 27 C LIG 1 -5.147 -1.165 0.322 0.00 0.00 +0.125 A ATOM 28 C LIG 1 -4.329 -0.099 -0.056 0.00 0.00 +0.047 A ATOM 29 C LIG 1 -3.946 0.071 -1.400 0.00 0.00 +0.018 A BRANCH 27 30 ATOM 30 O LIG 1 -5.584 -1.449 1.582 0.00 0.00 -0.481 OA BRANCH 30 31 ATOM 31 C LIG 1 -5.132 -0.641 2.657 0.00 0.00 +0.349 C BRANCH 31 32 ATOM 32 C LIG 1 -5.841 0.688 2.889 0.00 0.00 +0.343 C ATOM 33 O LIG 1 -5.585 1.476 3.790 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 -6.829 0.963 2.014 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 -7.175 1.834 2.300 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 4 19 TORSDOF 11