REMARK Name = BDB016728 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.689 2.176 -0.372 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.966 3.064 -1.191 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.579 2.905 -1.296 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.127 1.919 -0.620 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -1.490 2.108 -1.007 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -1.614 3.136 -1.860 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.586 1.041 0.217 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -0.363 3.596 -2.005 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -0.215 4.393 -2.613 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.976 1.189 0.331 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 11 N LIG 1 6.567 -0.499 0.034 0.00 0.00 -0.268 N ATOM 12 C LIG 1 5.635 -1.084 -0.848 0.00 0.00 +0.041 A ATOM 13 C LIG 1 4.759 -0.088 -1.316 0.00 0.00 -0.010 A ATOM 14 C LIG 1 3.770 -0.428 -2.230 0.00 0.00 +0.006 A ATOM 15 C LIG 1 3.656 -1.760 -2.642 0.00 0.00 +0.000 A ATOM 16 C LIG 1 4.530 -2.741 -2.150 0.00 0.00 +0.002 A ATOM 17 C LIG 1 5.143 1.212 -0.668 0.00 0.00 +0.081 C ATOM 18 C LIG 1 4.187 2.300 -0.215 0.00 0.00 +0.040 C ATOM 19 C LIG 1 5.084 2.513 -1.418 0.00 0.00 +0.031 C ATOM 20 C LIG 1 5.536 -2.407 -1.242 0.00 0.00 +0.024 A ATOM 21 C LIG 1 6.325 0.859 0.204 0.00 0.00 +0.231 C ATOM 22 O LIG 1 6.917 1.649 0.923 0.00 0.00 -0.274 OA BRANCH 11 23 ATOM 23 C LIG 1 7.586 -1.220 0.761 0.00 0.00 +0.141 C BRANCH 23 24 ATOM 24 C LIG 1 7.086 -1.724 2.117 0.00 0.00 +0.178 C BRANCH 24 26 ATOM 25 C LIG 1 9.047 -1.758 3.458 0.00 0.00 +0.194 C ATOM 26 O LIG 1 8.065 -2.530 2.777 0.00 0.00 -0.381 OA ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 11 23 ENDBRANCH 1 18 BRANCH 5 27 ATOM 27 C LIG 1 -2.588 1.307 -0.547 0.00 0.00 +0.031 C ATOM 28 C LIG 1 -3.868 1.470 -0.927 0.00 0.00 +0.010 C BRANCH 28 29 ATOM 29 C LIG 1 -4.978 0.634 -0.455 0.00 0.00 -0.025 A ATOM 30 C LIG 1 -5.104 0.246 0.884 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -6.191 -0.527 1.304 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.181 -0.918 0.393 0.00 0.00 -0.033 A ATOM 33 C LIG 1 -7.059 -0.519 -0.946 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -5.973 0.256 -1.363 0.00 0.00 +0.008 A BRANCH 32 35 ATOM 35 C LIG 1 -8.351 -1.770 0.839 0.00 0.00 +0.119 C BRANCH 35 36 ATOM 36 N LIG 1 -9.665 -1.169 0.545 0.00 0.00 -0.304 NA ATOM 37 C LIG 1 -10.727 -2.150 0.777 0.00 0.00 +0.104 C ATOM 38 C LIG 1 -9.903 0.024 1.361 0.00 0.00 +0.104 C ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 5 27 TORSDOF 8