REMARK Name = BDB060291 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.461 -1.073 -2.511 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -0.435 -0.483 -1.627 0.00 0.00 -0.166 N ATOM 3 C LIG 1 -1.808 -0.252 -1.807 0.00 0.00 +0.254 C ATOM 4 O LIG 1 -2.351 -0.644 -2.840 0.00 0.00 -0.270 OA ATOM 5 N LIG 1 0.211 -0.157 -0.482 0.00 0.00 -0.139 NA ATOM 6 C LIG 1 1.465 -0.578 -0.710 0.00 0.00 +0.202 A ATOM 7 N LIG 1 1.640 -1.156 -1.950 0.00 0.00 -0.192 NA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -2.564 0.440 -0.683 0.00 0.00 +0.084 C ATOM 9 C LIG 1 -2.029 1.835 -0.325 0.00 0.00 +0.041 C ATOM 10 C LIG 1 -1.935 2.024 1.182 0.00 0.00 +0.160 C ATOM 11 O LIG 1 -3.178 1.650 1.769 0.00 0.00 -0.380 OA ATOM 12 C LIG 1 -3.462 0.255 1.676 0.00 0.00 +0.160 C ATOM 13 C LIG 1 -2.743 -0.466 0.538 0.00 0.00 +0.041 C ENDBRANCH 3 8 BRANCH 6 14 ATOM 14 C LIG 1 2.567 -0.449 0.255 0.00 0.00 +0.110 A ATOM 15 N LIG 1 2.281 0.123 1.457 0.00 0.00 -0.252 NA ATOM 16 C LIG 1 3.292 0.243 2.343 0.00 0.00 +0.111 A ATOM 17 C LIG 1 4.588 -0.181 2.097 0.00 0.00 +0.020 A ATOM 18 C LIG 1 4.866 -0.763 0.867 0.00 0.00 +0.004 A ATOM 19 C LIG 1 3.844 -0.901 -0.070 0.00 0.00 +0.031 A ENDBRANCH 6 14 BRANCH 1 20 ATOM 20 N LIG 1 0.142 -1.482 -3.753 0.00 0.00 -0.327 N ATOM 21 H LIG 1 -0.840 -1.576 -4.019 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 0.772 -2.124 -4.223 0.00 0.00 +0.145 HD ENDBRANCH 1 20 TORSDOF 3