REMARK Name = BDB060292 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.827 -0.905 1.170 0.00 0.00 +0.219 A ATOM 2 N LIG 1 0.441 0.296 0.576 0.00 0.00 -0.166 N ATOM 3 C LIG 1 -0.804 0.948 0.441 0.00 0.00 +0.253 C ATOM 4 O LIG 1 -0.844 2.064 -0.072 0.00 0.00 -0.270 OA ATOM 5 N LIG 1 1.545 0.874 0.014 0.00 0.00 -0.139 NA ATOM 6 C LIG 1 2.507 -0.042 0.204 0.00 0.00 +0.202 A ATOM 7 N LIG 1 2.084 -1.145 0.907 0.00 0.00 -0.192 NA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -2.040 0.203 0.928 0.00 0.00 +0.080 C ATOM 9 C LIG 1 -3.221 1.183 1.109 0.00 0.00 +0.013 C ATOM 10 C LIG 1 -4.554 0.445 1.147 0.00 0.00 +0.001 C ATOM 11 C LIG 1 -4.832 -0.284 -0.167 0.00 0.00 +0.000 C ATOM 12 C LIG 1 -3.564 -0.635 -0.944 0.00 0.00 +0.001 C ATOM 13 C LIG 1 -2.397 -0.962 -0.017 0.00 0.00 +0.013 C ENDBRANCH 3 8 BRANCH 6 14 ATOM 14 C LIG 1 3.890 0.113 -0.275 0.00 0.00 +0.110 A ATOM 15 N LIG 1 4.763 -0.886 0.023 0.00 0.00 -0.252 NA ATOM 16 C LIG 1 6.034 -0.751 -0.413 0.00 0.00 +0.111 A ATOM 17 C LIG 1 6.490 0.336 -1.139 0.00 0.00 +0.020 A ATOM 18 C LIG 1 5.589 1.351 -1.437 0.00 0.00 +0.004 A ATOM 19 C LIG 1 4.270 1.242 -1.001 0.00 0.00 +0.031 A ENDBRANCH 6 14 BRANCH 1 20 ATOM 20 N LIG 1 0.057 -1.729 1.921 0.00 0.00 -0.327 N ATOM 21 H LIG 1 -0.280 -1.331 2.796 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 0.583 -2.567 2.176 0.00 0.00 +0.145 HD ENDBRANCH 1 20 TORSDOF 3