REMARK Name = BDB018337 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.644 1.032 0.353 0.00 0.00 +0.009 A ATOM 2 C LIG 1 -1.978 0.422 0.493 0.00 0.00 -0.004 A ATOM 3 C LIG 1 -2.930 1.042 1.215 0.00 0.00 +0.079 A ATOM 4 C LIG 1 -2.676 2.344 1.877 0.00 0.00 +0.252 A ATOM 5 O LIG 1 -3.580 2.878 2.512 0.00 0.00 -0.268 OA ATOM 6 N LIG 1 -1.398 2.860 1.718 0.00 0.00 -0.318 N ATOM 7 C LIG 1 -1.063 4.136 2.332 0.00 0.00 +0.152 C ATOM 8 C LIG 1 -0.428 2.211 0.974 0.00 0.00 +0.098 A ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -2.367 -0.886 -0.076 0.00 0.00 -0.017 A ATOM 10 C LIG 1 -1.839 -2.071 0.455 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -2.200 -3.307 -0.085 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -3.091 -3.368 -1.156 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -3.623 -2.195 -1.689 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -3.263 -0.958 -1.152 0.00 0.00 +0.008 A ENDBRANCH 2 9 BRANCH 1 18 ATOM 15 N LIG 1 2.344 -0.382 -1.054 0.00 0.00 -0.268 N ATOM 16 N LIG 1 1.539 -0.604 -2.111 0.00 0.00 -0.179 NA ATOM 17 C LIG 1 0.355 -0.127 -1.715 0.00 0.00 +0.143 A ATOM 18 C LIG 1 0.400 0.416 -0.413 0.00 0.00 +0.022 A ATOM 19 C LIG 1 1.708 0.240 -0.015 0.00 0.00 +0.117 A BRANCH 15 21 ATOM 20 C LIG 1 4.054 -1.861 -0.063 0.00 0.00 +0.032 C ATOM 21 C LIG 1 3.741 -0.800 -1.117 0.00 0.00 +0.101 C ATOM 22 C LIG 1 4.689 0.393 -1.009 0.00 0.00 +0.032 C ENDBRANCH 15 21 ENDBRANCH 1 18 TORSDOF 3