REMARK Name = BDB055057 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.906 0.265 -0.087 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.534 0.435 0.147 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -0.664 -0.664 0.108 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.185 -1.930 -0.171 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.555 -2.104 -0.388 0.00 0.00 +0.003 A ATOM 6 C LIG 1 -3.417 -1.010 -0.340 0.00 0.00 +0.013 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -3.355 2.647 -0.348 0.00 0.00 -0.325 N ATOM 8 H LIG 1 -2.501 2.755 -0.875 0.00 0.00 +0.145 HD ATOM 9 H LIG 1 -4.052 3.374 -0.455 0.00 0.00 +0.145 HD ATOM 10 C LIG 1 -3.854 1.409 -0.048 0.00 0.00 +0.242 C ATOM 11 O LIG 1 -5.041 1.255 0.204 0.00 0.00 -0.270 OA ENDBRANCH 1 10 BRANCH 3 12 ATOM 12 N LIG 1 0.704 -0.414 0.355 0.00 0.00 -0.282 N ATOM 13 H LIG 1 0.944 0.545 0.568 0.00 0.00 +0.155 HD ATOM 14 C LIG 1 1.723 -1.340 0.416 0.00 0.00 +0.241 C ATOM 15 O LIG 1 1.637 -2.557 0.325 0.00 0.00 -0.270 OA BRANCH 14 16 ATOM 16 C LIG 1 3.056 -0.747 0.687 0.00 0.00 +0.074 C ATOM 17 C LIG 1 3.496 0.351 0.058 0.00 0.00 +0.096 C BRANCH 17 18 ATOM 18 C LIG 1 4.831 0.917 0.276 0.00 0.00 +0.330 C ATOM 19 O LIG 1 5.252 1.907 -0.293 0.00 0.00 -0.246 OA BRANCH 18 20 ATOM 20 O LIG 1 5.561 0.254 1.183 0.00 0.00 -0.478 OA ATOM 21 H LIG 1 6.413 0.739 1.211 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 16 ENDBRANCH 3 12 TORSDOF 5