REMARK Name = BDB053793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.542 -0.205 -0.116 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.233 0.049 -0.541 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.859 -0.211 0.297 0.00 0.00 -0.009 A ATOM 4 C LIG 1 -0.632 -0.734 1.573 0.00 0.00 +0.009 A ATOM 5 C LIG 1 0.671 -0.984 2.004 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.756 -0.718 1.162 0.00 0.00 +0.045 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.210 0.049 -0.151 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -2.682 1.273 -0.572 0.00 0.00 +0.142 A ATOM 9 C LIG 1 -2.095 2.619 -0.721 0.00 0.00 +0.090 C ATOM 10 O LIG 1 -3.995 1.155 -0.905 0.00 0.00 -0.359 OA ATOM 11 N LIG 1 -4.413 -0.145 -0.700 0.00 0.00 -0.083 NA ATOM 12 C LIG 1 -3.340 -0.807 -0.250 0.00 0.00 +0.088 A ATOM 13 C LIG 1 -3.437 -2.251 0.064 0.00 0.00 +0.070 C ENDBRANCH 3 7 BRANCH 1 14 ATOM 14 O LIG 1 2.502 0.104 -1.038 0.00 0.00 -0.492 OA BRANCH 14 16 ATOM 15 C LIG 1 4.568 0.880 -0.033 0.00 0.00 +0.048 C ATOM 16 C LIG 1 3.859 -0.245 -0.766 0.00 0.00 +0.225 C ENDBRANCH 14 16 ENDBRANCH 1 14 TORSDOF 3