REMARK Name = BDB011426 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.519 0.699 -0.779 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.516 0.682 0.194 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.677 0.717 -0.468 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -2.114 0.679 -0.107 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.728 0.824 -1.475 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.730 0.882 -2.493 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.841 0.998 -3.701 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.469 0.813 -1.807 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.904 0.805 -2.030 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.107 0.945 -1.680 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.979 1.127 -0.666 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -6.348 1.254 -0.855 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -7.193 1.456 0.313 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -6.939 1.215 -2.121 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -8.145 1.346 -2.311 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -5.986 0.995 -3.252 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -6.627 0.888 -4.847 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -4.671 0.871 -3.020 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 1 20 ATOM 19 C LIG 1 3.653 -0.558 -0.346 0.00 0.00 +0.228 A ATOM 20 C LIG 1 2.954 0.619 -0.529 0.00 0.00 +0.078 A ATOM 21 C LIG 1 3.747 1.742 -0.520 0.00 0.00 +0.129 A ATOM 22 N LIG 1 5.078 1.727 -0.302 0.00 0.00 -0.222 NA ATOM 23 C LIG 1 5.670 0.536 -0.104 0.00 0.00 +0.220 A ATOM 24 N LIG 1 4.983 -0.617 -0.124 0.00 0.00 -0.179 NA BRANCH 23 25 ATOM 25 N LIG 1 7.040 0.500 0.159 0.00 0.00 -0.306 N ATOM 26 C LIG 1 7.671 -0.783 -0.109 0.00 0.00 +0.132 C ATOM 27 C LIG 1 7.766 1.686 -0.267 0.00 0.00 +0.132 C ENDBRANCH 23 25 BRANCH 19 29 ATOM 28 C LIG 1 3.737 -2.902 -0.218 0.00 0.00 +0.279 C ATOM 29 O LIG 1 2.933 -1.741 -0.392 0.00 0.00 -0.479 OA ENDBRANCH 19 29 ENDBRANCH 1 20 BRANCH 4 30 ATOM 30 C LIG 1 -2.504 -0.613 0.598 0.00 0.00 -0.021 A ATOM 31 C LIG 1 -2.918 -0.582 1.940 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -3.264 -1.760 2.608 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -3.198 -2.989 1.947 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -2.784 -3.035 0.614 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -2.438 -1.857 -0.054 0.00 0.00 +0.007 A BRANCH 33 36 ATOM 36 C LIG 1 -3.549 -4.197 2.635 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -3.833 -5.169 3.201 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 4 30 BRANCH 2 38 ATOM 38 C LIG 1 0.646 0.657 1.652 0.00 0.00 +0.081 C ATOM 39 C LIG 1 1.527 1.770 2.220 0.00 0.00 +0.030 C ATOM 40 C LIG 1 1.043 -0.716 2.191 0.00 0.00 +0.030 C ENDBRANCH 2 38 TORSDOF 7