REMARK  Name = BDB037030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.784   0.238   0.068  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.550  -0.994   0.616  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -1.979  -2.078   0.268  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.676  -0.786   1.769  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -0.503   0.578   1.912  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.262   1.121   2.925  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        0.878   0.229   3.805  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        0.738  -1.165   3.634  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -0.042  -1.701   2.597  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -1.202   1.228   0.808  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -1.195   2.430   0.619  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -5.355   2.569  -3.387  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.555   1.936  -2.704  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -4.869   1.546  -1.426  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.760   1.869  -1.074  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.045   0.940  -0.504  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -4.420   0.782   0.656  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -2.700   0.443  -1.044  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -2.181   1.394  -2.118  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -3.210   1.497  -3.235  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1       -0.062  -3.087   2.339  0.00  0.00    -0.338 N 
ATOM     22  H   LIG    1       -0.804  -3.284   1.651  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.216  -3.588   1.785  0.00  0.00    +0.160 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.792  -2.858   0.610  0.00  0.00    +0.100 A 
ATOM     25  N   LIG    1        1.206  -2.930  -0.628  0.00  0.00    -0.133 NA
ATOM     26  N   LIG    1        1.872  -2.131  -1.450  0.00  0.00    -0.065 NA
ATOM     27  N   LIG    1        2.851  -1.548  -0.740  0.00  0.00    -0.251 N 
ATOM     28  C   LIG    1        2.864  -1.991   0.547  0.00  0.00    +0.135 A 
BRANCH  27  29
ATOM     29  C   LIG    1        3.745  -0.597  -1.371  0.00  0.00    +0.151 C 
BRANCH  29  30
ATOM     30  C   LIG    1        3.255   0.839  -1.389  0.00  0.00    +0.038 C 
ATOM     31  C   LIG    1        2.842   1.541  -0.071  0.00  0.00    +0.087 C 
ATOM     32  N   LIG    1        1.861   2.310  -0.870  0.00  0.00    -0.315 NA
ATOM     33  H   LIG    1        0.978   2.537  -0.405  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1        1.811   1.185  -1.835  0.00  0.00    +0.087 C 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 6