REMARK Name = BDB024161 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.926 0.871 1.073 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.123 -0.386 1.916 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.777 -0.463 3.274 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.968 -1.647 3.992 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.521 -2.764 3.370 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.892 -2.700 2.030 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.698 -1.520 1.310 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.017 1.914 1.718 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -1.361 1.913 1.521 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -1.811 2.736 1.905 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.445 2.824 2.424 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.289 1.072 0.918 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -3.513 1.636 0.853 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -4.519 0.918 0.295 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -4.390 -0.371 -0.209 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -3.114 -0.931 -0.113 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -2.057 -0.211 0.457 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 -5.523 -1.099 -0.796 0.00 0.00 -0.016 A ATOM 19 C LIG 1 -5.424 -1.689 -2.068 0.00 0.00 +0.008 A ATOM 20 C LIG 1 -6.505 -2.374 -2.631 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.702 -2.485 -1.929 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -7.821 -1.912 -0.666 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -6.741 -1.224 -0.105 0.00 0.00 +0.008 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 2.259 1.482 0.832 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 2.520 1.967 1.696 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 2.248 2.446 -0.275 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 3.659 2.980 -0.570 0.00 0.00 +0.050 C BRANCH 27 31 ATOM 28 C LIG 1 6.208 0.058 -2.477 0.00 0.00 +0.052 A ATOM 29 C LIG 1 5.481 0.968 -3.252 0.00 0.00 +0.019 A ATOM 30 C LIG 1 4.660 1.915 -2.636 0.00 0.00 +0.005 A ATOM 31 C LIG 1 4.559 1.965 -1.239 0.00 0.00 -0.046 A ATOM 32 C LIG 1 5.286 1.046 -0.470 0.00 0.00 +0.005 A ATOM 33 C LIG 1 6.107 0.098 -1.084 0.00 0.00 +0.019 A BRANCH 28 35 ATOM 34 N LIG 1 7.726 -1.704 -3.627 0.00 0.00 -0.191 NA ATOM 35 C LIG 1 7.048 -0.916 -3.110 0.00 0.00 +0.099 C ENDBRANCH 28 35 ENDBRANCH 27 31 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9