REMARK Name = BDB000652 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.065 1.382 -0.458 0.00 0.00 +0.070 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 3.495 -0.803 1.047 0.00 0.00 -0.030 A ATOM 3 C LIG 1 2.880 0.187 1.826 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.780 0.897 1.338 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.268 0.629 0.062 0.00 0.00 -0.043 A ATOM 6 C LIG 1 1.876 -0.366 -0.714 0.00 0.00 +0.004 A ATOM 7 C LIG 1 2.976 -1.076 -0.226 0.00 0.00 +0.005 A BRANCH 2 8 ATOM 8 C LIG 1 4.677 -1.578 1.581 0.00 0.00 +0.149 C BRANCH 8 16 ATOM 9 O LIG 1 8.057 1.192 3.733 0.00 0.00 -0.282 OA ATOM 10 C LIG 1 7.423 0.602 2.888 0.00 0.00 +0.250 C ATOM 11 C LIG 1 7.691 0.559 1.451 0.00 0.00 +0.048 A ATOM 12 C LIG 1 6.715 -0.252 0.870 0.00 0.00 +0.048 A ATOM 13 C LIG 1 6.722 -0.474 -0.494 0.00 0.00 +0.024 A ATOM 14 C LIG 1 7.729 0.137 -1.255 0.00 0.00 +0.002 A ATOM 15 C LIG 1 8.706 0.952 -0.651 0.00 0.00 +0.001 A ATOM 16 N LIG 1 5.827 -0.744 1.842 0.00 0.00 -0.260 N ATOM 17 C LIG 1 8.694 1.173 0.726 0.00 0.00 +0.014 A ATOM 18 C LIG 1 6.164 -0.273 3.102 0.00 0.00 +0.292 C ATOM 19 O LIG 1 5.620 -0.467 4.168 0.00 0.00 -0.266 OA ENDBRANCH 8 16 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 20 ATOM 20 C LIG 1 -1.214 0.578 -0.423 0.00 0.00 -0.043 A ATOM 21 C LIG 1 -1.732 0.010 -1.594 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -2.904 -0.750 -1.557 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -3.586 -0.955 -0.349 0.00 0.00 -0.030 A ATOM 24 C LIG 1 -3.061 -0.395 0.824 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -1.889 0.364 0.786 0.00 0.00 +0.004 A BRANCH 23 26 ATOM 26 C LIG 1 -4.848 -1.784 -0.311 0.00 0.00 +0.149 C BRANCH 26 27 ATOM 27 N LIG 1 -5.926 -1.206 -1.080 0.00 0.00 -0.260 N ATOM 28 C LIG 1 -6.735 -0.132 -0.670 0.00 0.00 +0.048 A ATOM 29 C LIG 1 -7.647 0.212 -1.668 0.00 0.00 +0.048 A ATOM 30 C LIG 1 -8.568 1.234 -1.533 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -8.558 1.939 -0.330 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -7.642 1.608 0.688 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -7.415 -0.683 -2.800 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -8.007 -0.692 -3.855 0.00 0.00 -0.282 OA ATOM 35 C LIG 1 -6.721 0.564 0.524 0.00 0.00 +0.024 A ATOM 36 C LIG 1 -6.252 -1.608 -2.366 0.00 0.00 +0.292 C ATOM 37 O LIG 1 -5.760 -2.479 -3.051 0.00 0.00 -0.266 OA ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 20 TORSDOF 6