REMARK  Name = BDB032037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.546  -0.020  -0.517  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.749  -0.059  -0.150  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.602  -0.353  -1.131  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.998  -0.455  -1.044  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1       -3.514  -0.737  -2.327  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.402  -0.840  -3.186  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -2.441  -1.098  -4.596  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.688  -0.860  -2.633  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.251  -0.595  -2.438  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.070  -0.537  -2.737  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        0.980  -0.252  -1.781  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.788  -0.223   0.146  0.00  0.00    +0.119 C 
ATOM     13  C   LIG    1       -3.766   1.246   0.618  0.00  0.00    +0.185 C 
ATOM     14  O   LIG    1       -3.967   1.397   2.030  0.00  0.00    -0.378 OA
ATOM     15  C   LIG    1       -4.933   0.484   2.541  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1       -4.394  -0.943   2.484  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1       -3.451  -1.171   1.301  0.00  0.00    +0.030 C 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  N   LIG    1        1.423   0.300   0.516  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        0.878   0.443   1.355  0.00  0.00    +0.155 HD
BRANCH  18  22
ATOM     20  C   LIG    1        2.547   1.236   3.030  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        3.389   0.860   1.839  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1        2.815   0.401   0.633  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        3.687   0.092  -0.421  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        5.085   0.214  -0.296  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.647   0.660   0.906  0.00  0.00    +0.094 A 
ATOM     26  N   LIG    1        6.979   0.781   1.044  0.00  0.00    -0.149 NA
ATOM     27  N   LIG    1        7.822   0.471   0.010  0.00  0.00    -0.157 NA
ATOM     28  C   LIG    1        7.307   0.042  -1.154  0.00  0.00    +0.135 A 
ATOM     29  C   LIG    1        5.949  -0.101  -1.349  0.00  0.00    +0.031 A 
ATOM     30  C   LIG    1        4.790   0.975   1.952  0.00  0.00    +0.035 A 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3