REMARK Name = BDB005587 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.407 -0.567 0.655 0.00 0.00 -0.031 A ATOM 2 C LIG 1 0.569 0.084 1.567 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.793 0.240 1.284 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -1.359 -0.263 0.103 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -2.813 -0.078 -0.124 0.00 0.00 +0.045 A ATOM 6 N LIG 1 -3.411 -0.648 -1.247 0.00 0.00 -0.343 N ATOM 7 H LIG 1 -2.944 -1.493 -1.563 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 -4.863 -0.721 -1.363 0.00 0.00 +0.102 C ATOM 9 C LIG 1 -5.476 0.579 -0.857 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -5.010 0.880 0.572 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -3.538 0.629 0.766 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -2.923 1.178 2.004 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -3.577 1.811 2.828 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -0.508 -0.899 -0.812 0.00 0.00 +0.012 A ATOM 15 N LIG 1 -1.595 0.931 2.197 0.00 0.00 -0.322 N ATOM 16 H LIG 1 -1.198 1.313 3.044 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 0.855 -1.056 -0.536 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 2.881 -0.755 0.956 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 3.770 -0.225 -0.098 0.00 0.00 -0.301 NA ATOM 20 C LIG 1 3.715 1.241 -0.133 0.00 0.00 +0.105 C BRANCH 19 22 ATOM 21 C LIG 1 6.082 -0.418 -1.040 0.00 0.00 +0.020 C ATOM 22 C LIG 1 5.144 -0.707 0.128 0.00 0.00 +0.081 C ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 3