REMARK Name = BDB027667 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.432 0.978 0.471 0.00 0.00 +0.131 A ATOM 2 C LIG 1 0.066 2.286 0.583 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.439 2.424 0.377 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.946 3.710 0.496 0.00 0.00 +0.139 A ATOM 5 N LIG 1 1.230 4.830 0.783 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.092 4.663 0.957 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.242 1.392 0.077 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 1.669 0.184 -0.036 0.00 0.00 +0.162 A ATOM 9 C LIG 1 -0.714 3.431 0.869 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.362 -0.057 0.154 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.532 -0.959 -0.387 0.00 0.00 +0.022 A ATOM 12 C LIG 1 3.917 -0.811 -0.555 0.00 0.00 +0.031 A ATOM 13 C LIG 1 4.687 -1.915 -0.885 0.00 0.00 +0.111 A ATOM 14 N LIG 1 4.185 -3.153 -1.061 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 2.854 -3.291 -0.901 0.00 0.00 +0.111 A ATOM 16 C LIG 1 2.005 -2.247 -0.572 0.00 0.00 +0.031 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -1.811 0.747 0.685 0.00 0.00 -0.326 N ATOM 18 H LIG 1 -2.036 1.101 1.612 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -2.287 -0.635 0.504 0.00 0.00 +0.068 C ATOM 20 C LIG 1 -3.607 -0.781 1.273 0.00 0.00 +0.028 C BRANCH 19 22 ATOM 21 C LIG 1 -2.821 -2.379 -1.292 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -2.487 -0.923 -0.998 0.00 0.00 +0.018 C ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 4