REMARK Name = BDB059645 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.841 -0.668 0.242 0.00 0.00 +0.045 A ATOM 2 C LIG 1 -2.293 -0.339 0.506 0.00 0.00 +0.279 A ATOM 3 O LIG 1 -3.112 -1.125 0.965 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 -2.671 0.974 0.178 0.00 0.00 -0.179 N ATOM 5 C LIG 1 -1.825 1.923 -0.354 0.00 0.00 +0.156 A ATOM 6 C LIG 1 -2.570 3.062 -0.529 0.00 0.00 +0.114 A ATOM 7 C LIG 1 -3.857 2.719 -0.080 0.00 0.00 +0.156 A ATOM 8 N LIG 1 -0.541 1.572 -0.580 0.00 0.00 -0.338 N ATOM 9 H LIG 1 0.137 2.212 -0.996 0.00 0.00 +0.167 HD ATOM 10 N LIG 1 -3.934 1.456 0.352 0.00 0.00 -0.169 NA ATOM 11 C LIG 1 -0.051 0.299 -0.298 0.00 0.00 +0.060 A ENDROOT BRANCH 11 12 ATOM 12 C LIG 1 1.330 0.090 -0.611 0.00 0.00 +0.036 A ATOM 13 C LIG 1 2.398 0.739 -0.032 0.00 0.00 +0.118 A ATOM 14 N LIG 1 3.512 0.241 -0.645 0.00 0.00 -0.274 N ATOM 15 C LIG 1 4.885 0.594 -0.376 0.00 0.00 +0.172 C ATOM 16 N LIG 1 3.237 -0.669 -1.600 0.00 0.00 -0.179 NA ATOM 17 C LIG 1 1.904 -0.756 -1.582 0.00 0.00 +0.144 A ENDBRANCH 11 12 BRANCH 1 19 ATOM 18 C LIG 1 -0.545 -2.357 2.126 0.00 0.00 +0.012 C ATOM 19 C LIG 1 -0.379 -2.069 0.630 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -1.039 -3.155 -0.224 0.00 0.00 +0.012 C ENDBRANCH 1 19 BRANCH 6 21 ATOM 21 C LIG 1 -2.130 4.309 -1.048 0.00 0.00 +0.104 C ATOM 22 N LIG 1 -1.756 5.323 -1.471 0.00 0.00 -0.191 NA ENDBRANCH 6 21 TORSDOF 3