REMARK Name = BDB046967 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.473 0.709 0.112 0.00 0.00 +0.047 A ATOM 2 C LIG 1 -0.817 1.272 -0.169 0.00 0.00 +0.011 A ATOM 3 C LIG 1 -1.771 0.241 -0.118 0.00 0.00 +0.062 A ATOM 4 C LIG 1 -3.137 0.486 -0.376 0.00 0.00 +0.061 A ATOM 5 C LIG 1 -4.213 -0.538 -0.372 0.00 0.00 +0.246 C ATOM 6 N LIG 1 -4.058 -1.746 0.254 0.00 0.00 -0.310 N ATOM 7 H LIG 1 -4.912 -2.293 0.241 0.00 0.00 +0.149 HD ATOM 8 C LIG 1 -2.990 -2.152 1.138 0.00 0.00 +0.126 C ATOM 9 C LIG 1 -1.652 -2.217 0.424 0.00 0.00 +0.140 C ATOM 10 O LIG 1 -5.286 -0.310 -0.929 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -3.512 1.807 -0.693 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -2.585 2.840 -0.738 0.00 0.00 +0.001 A ATOM 13 N LIG 1 -1.076 -0.902 0.210 0.00 0.00 -0.344 N ATOM 14 C LIG 1 -1.241 2.583 -0.477 0.00 0.00 +0.011 A ATOM 15 C LIG 1 0.262 -0.636 0.349 0.00 0.00 +0.098 A ENDROOT BRANCH 1 17 ATOM 16 O LIG 1 1.817 2.628 0.402 0.00 0.00 -0.287 OA ATOM 17 C LIG 1 1.750 1.422 0.178 0.00 0.00 +0.195 C BRANCH 17 18 ATOM 18 C LIG 1 3.021 0.675 -0.016 0.00 0.00 +0.022 A ATOM 19 C LIG 1 4.113 0.992 0.800 0.00 0.00 +0.012 A ATOM 20 C LIG 1 5.327 0.323 0.633 0.00 0.00 +0.001 A ATOM 21 C LIG 1 5.456 -0.651 -0.357 0.00 0.00 +0.000 A ATOM 22 C LIG 1 4.376 -0.953 -1.188 0.00 0.00 +0.001 A ATOM 23 C LIG 1 3.160 -0.287 -1.025 0.00 0.00 +0.012 A ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 2