REMARK Name = BDB035002 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.655 -0.803 0.443 0.00 0.00 +0.047 C ATOM 2 C LIG 1 -1.257 -0.323 0.178 0.00 0.00 -0.009 A ATOM 3 C LIG 1 -1.007 0.973 -0.295 0.00 0.00 +0.120 A ATOM 4 N LIG 1 0.210 1.466 -0.578 0.00 0.00 -0.231 NA ATOM 5 C LIG 1 1.246 0.623 -0.364 0.00 0.00 +0.091 A ATOM 6 C LIG 1 1.087 -0.672 0.114 0.00 0.00 +0.065 A ATOM 7 N LIG 1 2.343 -1.225 0.205 0.00 0.00 -0.359 N ATOM 8 H LIG 1 2.537 -2.165 0.522 0.00 0.00 +0.165 HD ATOM 9 C LIG 1 3.287 -0.315 -0.200 0.00 0.00 +0.085 A ATOM 10 C LIG 1 2.630 0.842 -0.559 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -0.175 -1.185 0.401 0.00 0.00 +0.034 A ENDROOT BRANCH 3 12 ATOM 12 N LIG 1 -2.064 1.862 -0.528 0.00 0.00 -0.343 N ATOM 13 H LIG 1 -1.635 2.734 -0.829 0.00 0.00 +0.144 HD ATOM 14 H LIG 1 -2.617 1.991 0.310 0.00 0.00 +0.144 HD ENDBRANCH 3 12 TORSDOF 1