REMARK Name = BDB027763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.174 -1.061 -0.261 0.00 0.00 +0.130 A ATOM 2 C LIG 1 1.203 -2.455 -0.445 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -0.011 -3.113 -0.240 0.00 0.00 +0.095 A ATOM 4 C LIG 1 0.006 -4.490 -0.409 0.00 0.00 +0.139 A ATOM 5 N LIG 1 1.084 -5.241 -0.758 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 2.231 -4.574 -0.966 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -1.139 -2.475 0.094 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 -1.067 -1.141 0.225 0.00 0.00 +0.166 A ATOM 9 C LIG 1 2.342 -3.203 -0.824 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.045 -0.409 0.063 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -2.297 -0.445 0.554 0.00 0.00 +0.060 A ATOM 12 C LIG 1 -2.568 0.898 0.911 0.00 0.00 +0.077 A ATOM 13 N LIG 1 -3.870 1.130 1.116 0.00 0.00 -0.178 NA ATOM 14 N LIG 1 -4.438 -0.066 0.904 0.00 0.00 -0.284 N ATOM 15 H LIG 1 -5.444 -0.143 1.006 0.00 0.00 +0.188 HD ATOM 16 C LIG 1 -3.547 -1.039 0.569 0.00 0.00 +0.116 A BRANCH 12 17 ATOM 17 C LIG 1 -1.502 2.021 1.062 0.00 0.00 +0.040 C ATOM 18 C LIG 1 -0.760 2.143 2.369 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -1.764 3.188 1.981 0.00 0.00 +0.010 C ENDBRANCH 12 17 ENDBRANCH 8 11 BRANCH 1 20 ATOM 20 N LIG 1 2.370 -0.328 -0.439 0.00 0.00 -0.328 N ATOM 21 H LIG 1 3.069 -0.714 0.191 0.00 0.00 +0.147 HD BRANCH 20 22 ATOM 22 C LIG 1 2.282 1.124 -0.295 0.00 0.00 +0.102 C BRANCH 22 24 ATOM 23 C LIG 1 1.740 3.291 -1.459 0.00 0.00 +0.005 C ATOM 24 C LIG 1 1.749 1.775 -1.571 0.00 0.00 +0.015 C ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 5