REMARK Name = BDB002529 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.360 -1.298 -1.058 0.00 0.00 +0.067 A ATOM 2 N LIG 1 0.926 -0.947 -1.498 0.00 0.00 -0.326 N ATOM 3 C LIG 1 1.756 -1.972 -1.886 0.00 0.00 +0.204 A ATOM 4 N LIG 1 1.496 -3.233 -1.867 0.00 0.00 -0.198 NA ATOM 5 C LIG 1 0.268 -3.641 -1.393 0.00 0.00 +0.291 A ATOM 6 O LIG 1 -0.022 -4.829 -1.304 0.00 0.00 -0.264 OA ATOM 7 C LIG 1 -0.726 -2.599 -0.997 0.00 0.00 +0.141 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 -1.718 0.016 0.538 0.00 0.00 +0.072 C ATOM 9 C LIG 1 -1.297 -0.235 -0.711 0.00 0.00 +0.042 C BRANCH 8 11 ATOM 10 C LIG 1 -3.071 0.965 2.370 0.00 0.00 +0.128 C ATOM 11 N LIG 1 -2.584 1.004 0.986 0.00 0.00 -0.342 N ATOM 12 C LIG 1 -3.446 1.757 0.071 0.00 0.00 +0.128 C ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 7 13 ATOM 13 C LIG 1 -2.016 -3.043 -0.597 0.00 0.00 +0.107 C ATOM 14 N LIG 1 -3.083 -3.366 -0.270 0.00 0.00 -0.191 NA ENDBRANCH 7 13 BRANCH 2 15 ATOM 15 C LIG 1 1.462 0.426 -1.472 0.00 0.00 +0.158 C BRANCH 15 16 ATOM 16 C LIG 1 2.088 0.762 -0.136 0.00 0.00 -0.028 A ATOM 17 C LIG 1 3.339 0.240 0.227 0.00 0.00 +0.005 A ATOM 18 C LIG 1 3.908 0.549 1.465 0.00 0.00 +0.000 A ATOM 19 C LIG 1 3.236 1.384 2.354 0.00 0.00 +0.000 A ATOM 20 C LIG 1 1.996 1.912 2.006 0.00 0.00 +0.000 A ATOM 21 C LIG 1 1.425 1.605 0.769 0.00 0.00 +0.005 A ENDBRANCH 15 16 ENDBRANCH 2 15 TORSDOF 5