REMARK Name = BDB065235 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.355 0.298 0.529 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -3.573 0.541 -0.613 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -2.185 0.450 -0.516 0.00 0.00 +0.064 A ATOM 4 C LIG 1 -1.568 0.119 0.714 0.00 0.00 +0.066 A ATOM 5 C LIG 1 -2.346 -0.122 1.849 0.00 0.00 +0.083 A ATOM 6 N LIG 1 -1.811 -0.439 3.033 0.00 0.00 -0.218 NA ATOM 7 C LIG 1 -0.469 -0.521 3.097 0.00 0.00 +0.236 A ATOM 8 N LIG 1 0.382 -0.313 2.083 0.00 0.00 -0.183 NA ATOM 9 C LIG 1 -0.189 0.005 0.911 0.00 0.00 +0.227 A ATOM 10 C LIG 1 -3.728 -0.029 1.739 0.00 0.00 +0.078 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -6.540 0.169 1.495 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -5.713 0.404 0.364 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 2 13 ATOM 13 O LIG 1 -4.255 0.854 -1.760 0.00 0.00 -0.491 OA ATOM 14 C LIG 1 -3.497 1.109 -2.934 0.00 0.00 +0.277 C ENDBRANCH 2 13 BRANCH 7 15 ATOM 15 C LIG 1 0.103 -0.866 4.372 0.00 0.00 +0.140 C ATOM 16 N LIG 1 0.564 -1.147 5.403 0.00 0.00 -0.188 NA ENDBRANCH 7 15 BRANCH 9 17 ATOM 17 O LIG 1 0.622 0.227 -0.189 0.00 0.00 -0.472 OA BRANCH 17 18 ATOM 18 C LIG 1 2.037 0.159 0.046 0.00 0.00 +0.178 C ATOM 19 C LIG 1 2.520 -1.301 0.033 0.00 0.00 +0.060 C ATOM 20 C LIG 1 3.911 -1.468 -0.585 0.00 0.00 +0.087 C ATOM 21 N LIG 1 4.740 -0.304 -0.280 0.00 0.00 -0.305 NA ATOM 22 C LIG 1 6.144 -0.536 -0.611 0.00 0.00 +0.104 C ATOM 23 C LIG 1 4.239 0.915 -0.931 0.00 0.00 +0.087 C ATOM 24 C LIG 1 2.716 0.942 -1.076 0.00 0.00 +0.060 C ENDBRANCH 17 18 ENDBRANCH 9 17 TORSDOF 5