REMARK Name = BDB002270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.413 2.477 1.728 0.00 0.00 -0.288 OA ATOM 2 C LIG 1 -0.071 1.504 1.061 0.00 0.00 +0.179 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 1.384 1.197 0.943 0.00 0.00 +0.051 C ATOM 4 C LIG 1 1.960 0.189 0.268 0.00 0.00 +0.013 C BRANCH 4 5 ATOM 5 C LIG 1 3.412 -0.069 0.184 0.00 0.00 -0.007 A ATOM 6 C LIG 1 4.398 0.702 0.799 0.00 0.00 +0.118 A ATOM 7 N LIG 1 5.731 0.461 0.719 0.00 0.00 -0.263 NA ATOM 8 C LIG 1 6.113 -0.605 -0.011 0.00 0.00 +0.111 A ATOM 9 C LIG 1 5.225 -1.440 -0.664 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.861 -1.166 -0.562 0.00 0.00 +0.011 A ENDBRANCH 4 5 ENDBRANCH 2 3 BRANCH 2 11 ATOM 11 C LIG 1 -1.067 0.634 0.376 0.00 0.00 +0.051 C ATOM 12 C LIG 1 -2.374 0.922 0.491 0.00 0.00 +0.013 C BRANCH 12 13 ATOM 13 C LIG 1 -3.489 0.174 -0.115 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -3.346 -0.962 -0.910 0.00 0.00 +0.118 A ATOM 15 N LIG 1 -4.373 -1.651 -1.469 0.00 0.00 -0.263 NA ATOM 16 C LIG 1 -5.616 -1.188 -1.226 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -5.877 -0.071 -0.453 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -4.799 0.614 0.107 0.00 0.00 +0.011 A ENDBRANCH 12 13 ENDBRANCH 2 11 TORSDOF 4