REMARK Name = BDB002735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.743 -0.382 -0.081 0.00 0.00 +0.184 A ATOM 2 N LIG 1 0.031 0.674 -0.489 0.00 0.00 -0.141 NA ATOM 3 N LIG 1 -1.256 0.256 -0.331 0.00 0.00 -0.163 N ATOM 4 C LIG 1 -2.324 1.138 -0.587 0.00 0.00 +0.281 C ATOM 5 O LIG 1 -2.087 2.195 -1.175 0.00 0.00 -0.265 OA ATOM 6 C LIG 1 -1.252 -1.076 0.076 0.00 0.00 +0.219 A ATOM 7 N LIG 1 -0.019 -1.468 0.276 0.00 0.00 -0.193 NA ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 5.022 -0.456 0.085 0.00 0.00 +0.120 A ATOM 9 C LIG 1 4.358 0.686 -0.362 0.00 0.00 +0.046 A ATOM 10 C LIG 1 2.958 0.710 -0.416 0.00 0.00 +0.015 A ATOM 11 C LIG 1 2.202 -0.405 -0.026 0.00 0.00 +0.021 A ATOM 12 C LIG 1 2.878 -1.547 0.422 0.00 0.00 +0.015 A ATOM 13 C LIG 1 4.276 -1.569 0.475 0.00 0.00 +0.046 A BRANCH 8 15 ATOM 14 C LIG 1 7.181 0.496 -0.200 0.00 0.00 +0.277 C ATOM 15 O LIG 1 6.377 -0.611 0.187 0.00 0.00 -0.495 OA ENDBRANCH 8 15 ENDBRANCH 1 11 BRANCH 4 16 ATOM 16 C LIG 1 -3.733 0.886 -0.215 0.00 0.00 +0.041 A ATOM 17 C LIG 1 -4.080 0.507 1.087 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -5.420 0.289 1.409 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -6.410 0.466 0.442 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.067 0.871 -0.848 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -4.729 1.089 -1.177 0.00 0.00 +0.013 A ENDBRANCH 4 16 BRANCH 6 22 ATOM 22 N LIG 1 -2.333 -1.874 0.219 0.00 0.00 -0.327 N ATOM 23 H LIG 1 -2.105 -2.860 0.337 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 -3.140 -1.757 -0.388 0.00 0.00 +0.145 HD ENDBRANCH 6 22 TORSDOF 4