REMARK Name = BDB046708 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.051 -0.786 1.090 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -1.075 0.136 0.716 0.00 0.00 -0.492 OA BRANCH 2 4 ATOM 3 C LIG 1 -3.245 0.645 -0.032 0.00 0.00 -0.002 A ATOM 4 C LIG 1 -2.342 -0.316 0.466 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -2.777 -1.631 0.661 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -4.095 -1.996 0.369 0.00 0.00 +0.050 A ATOM 7 C LIG 1 -4.992 -1.045 -0.106 0.00 0.00 +0.129 A ATOM 8 C LIG 1 -4.567 0.265 -0.328 0.00 0.00 +0.053 A BRANCH 3 9 ATOM 9 C LIG 1 -2.829 2.078 -0.289 0.00 0.00 +0.038 C BRANCH 9 11 ATOM 10 C LIG 1 -1.254 1.682 -2.262 0.00 0.00 +0.004 C ATOM 11 C LIG 1 -2.516 2.371 -1.760 0.00 0.00 +0.001 C ENDBRANCH 9 11 ENDBRANCH 3 9 BRANCH 7 12 ATOM 12 O LIG 1 -6.263 -1.479 -0.407 0.00 0.00 -0.456 OA BRANCH 12 13 ATOM 13 C LIG 1 -7.315 -0.697 0.013 0.00 0.00 +0.128 A ATOM 14 C LIG 1 -8.343 -0.475 -0.904 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -9.454 0.282 -0.532 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -9.544 0.802 0.760 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -8.526 0.559 1.683 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -7.413 -0.197 1.314 0.00 0.00 +0.046 A ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 0.548 -1.452 -0.148 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 1.617 -2.479 0.212 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 2.645 -1.919 1.027 0.00 0.00 -0.492 OA BRANCH 21 22 ATOM 22 C LIG 1 3.695 -1.282 0.427 0.00 0.00 +0.124 A ATOM 23 C LIG 1 4.668 -0.814 1.312 0.00 0.00 +0.091 A ATOM 24 C LIG 1 5.800 -0.145 0.843 0.00 0.00 +0.128 A ATOM 25 O LIG 1 6.689 0.273 1.796 0.00 0.00 -0.477 OA ATOM 26 C LIG 1 7.981 0.641 1.314 0.00 0.00 +0.281 C ATOM 27 C LIG 1 7.888 1.542 0.084 0.00 0.00 +0.061 C ATOM 28 C LIG 1 7.161 0.825 -1.046 0.00 0.00 +0.043 C ATOM 29 C LIG 1 5.960 0.092 -0.523 0.00 0.00 -0.005 A ATOM 30 C LIG 1 4.990 -0.385 -1.412 0.00 0.00 +0.011 A ATOM 31 C LIG 1 3.862 -1.067 -0.940 0.00 0.00 +0.046 A BRANCH 26 32 ATOM 32 C LIG 1 8.917 -0.552 1.095 0.00 0.00 +0.346 C ATOM 33 O LIG 1 9.760 -0.666 0.218 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 8.784 -1.518 2.029 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 9.425 -2.208 1.763 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 26 32 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12