REMARK Name = BDB028355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.153 -1.783 0.585 0.00 0.00 +0.077 A ATOM 2 N LIG 1 1.611 -3.051 0.874 0.00 0.00 -0.266 N ATOM 3 C LIG 1 2.843 -3.662 0.427 0.00 0.00 +0.173 C ATOM 4 N LIG 1 0.777 -3.764 1.655 0.00 0.00 -0.179 NA ATOM 5 C LIG 1 -0.259 -2.946 1.845 0.00 0.00 +0.143 A ATOM 6 C LIG 1 -0.081 -1.699 1.213 0.00 0.00 +0.027 A ENDROOT BRANCH 6 7 ATOM 7 C LIG 1 -0.958 -0.549 1.173 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -2.166 -0.617 0.464 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -3.012 0.498 0.409 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -2.659 1.658 1.097 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -3.582 2.804 1.098 0.00 0.00 +0.272 A ATOM 12 N LIG 1 -4.771 2.622 0.438 0.00 0.00 -0.242 N ATOM 13 H LIG 1 -5.419 3.403 0.422 0.00 0.00 +0.192 HD ATOM 14 N LIG 1 -5.128 1.523 -0.279 0.00 0.00 -0.174 NA ATOM 15 O LIG 1 -3.301 3.849 1.676 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -1.454 1.731 1.805 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -4.298 0.518 -0.337 0.00 0.00 +0.083 A ATOM 18 C LIG 1 -0.601 0.629 1.838 0.00 0.00 +0.009 A BRANCH 17 19 ATOM 19 C LIG 1 -4.702 -0.705 -1.171 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 -5.585 -0.294 -2.268 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 -6.149 -1.085 -2.568 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -6.230 0.411 -1.901 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 6 7 BRANCH 1 25 ATOM 23 C LIG 1 3.722 0.770 -0.452 0.00 0.00 -0.047 A ATOM 24 C LIG 1 3.001 -0.173 0.293 0.00 0.00 +0.015 A ATOM 25 C LIG 1 1.874 -0.816 -0.246 0.00 0.00 +0.018 A ATOM 26 C LIG 1 1.462 -0.497 -1.553 0.00 0.00 +0.061 A ATOM 27 C LIG 1 2.180 0.449 -2.297 0.00 0.00 +0.020 A ATOM 28 C LIG 1 3.300 1.079 -1.750 0.00 0.00 +0.005 A BRANCH 23 30 ATOM 29 C LIG 1 4.505 2.723 0.912 0.00 0.00 +0.009 C ATOM 30 C LIG 1 4.913 1.471 0.152 0.00 0.00 +0.032 C ENDBRANCH 23 30 BRANCH 26 31 ATOM 31 C LIG 1 0.318 -1.121 -2.155 0.00 0.00 +0.100 C ATOM 32 N LIG 1 -0.610 -1.619 -2.644 0.00 0.00 -0.191 NA ENDBRANCH 26 31 ENDBRANCH 1 25 TORSDOF 6