REMARK Name = BDB027953 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.720 0.958 0.408 0.00 0.00 -0.331 N ATOM 2 H LIG 1 -2.220 1.749 0.821 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 9 ATOM 3 O LIG 1 -5.957 -0.192 -1.252 0.00 0.00 -0.275 OA ATOM 4 C LIG 1 -4.885 -0.332 -0.671 0.00 0.00 +0.219 C ATOM 5 N LIG 1 -4.804 -0.215 0.693 0.00 0.00 -0.255 N ATOM 6 H LIG 1 -5.672 0.008 1.162 0.00 0.00 +0.158 HD ATOM 7 C LIG 1 -3.667 -0.102 1.455 0.00 0.00 +0.239 C ATOM 8 O LIG 1 -3.741 0.274 2.624 0.00 0.00 -0.273 OA ATOM 9 C LIG 1 -2.322 -0.340 0.747 0.00 0.00 +0.158 C ATOM 10 C LIG 1 -2.546 -1.198 -0.500 0.00 0.00 +0.041 C ATOM 11 C LIG 1 -3.592 -0.571 -1.410 0.00 0.00 +0.098 C ENDBRANCH 1 9 BRANCH 1 12 ATOM 12 C LIG 1 -0.392 1.121 0.197 0.00 0.00 +0.066 A ATOM 13 C LIG 1 0.571 0.167 0.003 0.00 0.00 +0.137 A ATOM 14 N LIG 1 1.772 0.832 -0.169 0.00 0.00 -0.238 N ATOM 15 N LIG 1 1.605 2.180 -0.087 0.00 0.00 -0.173 NA ATOM 16 C LIG 1 0.300 2.343 0.132 0.00 0.00 +0.157 A BRANCH 14 17 ATOM 17 C LIG 1 3.059 0.269 -0.404 0.00 0.00 +0.065 A ATOM 18 C LIG 1 3.245 -1.118 -0.493 0.00 0.00 +0.028 A ATOM 19 C LIG 1 4.522 -1.640 -0.724 0.00 0.00 +0.002 A ATOM 20 C LIG 1 5.615 -0.787 -0.869 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.438 0.592 -0.782 0.00 0.00 +0.002 A ATOM 22 C LIG 1 4.166 1.121 -0.551 0.00 0.00 +0.028 A ENDBRANCH 14 17 ENDBRANCH 1 12 TORSDOF 3