REMARK Name = BDB060397 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.000 0.899 -0.082 0.00 0.00 -0.184 NA ATOM 2 C LIG 1 -1.050 0.032 0.018 0.00 0.00 +0.131 C ENDROOT BRANCH 1 9 ATOM 3 O LIG 1 -6.126 -1.487 0.340 0.00 0.00 -0.274 OA ATOM 4 C LIG 1 -5.271 -0.625 0.201 0.00 0.00 +0.240 C ATOM 5 N LIG 1 -5.516 0.697 0.023 0.00 0.00 -0.237 N ATOM 6 H LIG 1 -6.426 1.120 -0.016 0.00 0.00 +0.159 HD ATOM 7 C LIG 1 -4.354 1.395 -0.100 0.00 0.00 +0.328 C ATOM 8 O LIG 1 -4.300 2.603 -0.269 0.00 0.00 -0.250 OA ATOM 9 N LIG 1 -3.296 0.480 0.005 0.00 0.00 -0.168 N ATOM 10 C LIG 1 -3.774 -0.866 0.202 0.00 0.00 +0.232 C ENDBRANCH 1 9 BRANCH 2 11 ATOM 11 C LIG 1 0.361 0.461 -0.072 0.00 0.00 +0.025 C ATOM 12 C LIG 1 1.336 -0.450 0.034 0.00 0.00 +0.048 C BRANCH 12 13 ATOM 13 C LIG 1 2.715 -0.109 -0.044 0.00 0.00 +0.131 A ATOM 14 O LIG 1 3.696 -1.075 0.069 0.00 0.00 -0.435 OA ATOM 15 C LIG 1 4.899 -0.460 -0.042 0.00 0.00 +0.280 A ATOM 16 C LIG 1 4.759 0.890 -0.227 0.00 0.00 +0.076 A ATOM 17 C LIG 1 3.359 1.115 -0.228 0.00 0.00 +0.052 A BRANCH 15 18 ATOM 18 N LIG 1 6.054 -1.295 0.049 0.00 0.00 +0.093 N ATOM 19 O LIG 1 7.149 -0.726 -0.054 0.00 0.00 -0.123 OA ATOM 20 O LIG 1 5.880 -2.508 0.221 0.00 0.00 -0.123 OA ENDBRANCH 15 18 ENDBRANCH 12 13 ENDBRANCH 2 11 TORSDOF 4