REMARK Name = BDB027810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.596 -0.730 0.215 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -0.260 -2.100 0.008 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.052 -2.407 -0.398 0.00 0.00 +0.091 A ATOM 4 C LIG 1 1.355 -3.749 -0.570 0.00 0.00 +0.139 A ATOM 5 N LIG 1 0.504 -4.793 -0.395 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.748 -4.474 -0.033 0.00 0.00 +0.111 A ATOM 7 N LIG 1 1.990 -1.472 -0.628 0.00 0.00 -0.245 NA ATOM 8 C LIG 1 1.655 -0.171 -0.493 0.00 0.00 +0.074 A ATOM 9 C LIG 1 -1.169 -3.172 0.176 0.00 0.00 +0.031 A ATOM 10 C LIG 1 0.383 0.219 -0.079 0.00 0.00 +0.052 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.729 0.795 -0.800 0.00 0.00 +0.003 A ATOM 12 C LIG 1 2.469 2.050 -1.370 0.00 0.00 +0.030 A ATOM 13 C LIG 1 3.526 2.911 -1.630 0.00 0.00 +0.111 A ATOM 14 N LIG 1 4.815 2.619 -1.367 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 5.060 1.406 -0.833 0.00 0.00 +0.111 A ATOM 16 C LIG 1 4.071 0.480 -0.540 0.00 0.00 +0.030 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.890 -0.402 0.623 0.00 0.00 -0.339 N ATOM 18 H LIG 1 -2.211 -1.062 1.330 0.00 0.00 +0.147 HD BRANCH 17 20 ATOM 19 C LIG 1 -2.538 1.728 -0.502 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -2.523 0.917 0.801 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -3.998 0.635 1.175 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -1.890 1.692 1.963 0.00 0.00 +0.031 C ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 3