REMARK  Name = BDB032019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.399  -0.044  -0.441  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.939  -0.100  -0.294  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.587  -0.720  -1.282  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.970  -0.929  -1.399  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -3.223  -1.638  -2.594  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -1.970  -1.844  -3.205  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -1.732  -2.526  -4.443  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.307  -2.005  -3.018  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.992  -1.280  -2.388  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.358  -1.186  -2.469  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.065  -0.569  -1.499  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.976  -0.517  -0.442  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1       -3.825  -1.237   0.907  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -4.912  -0.814   1.890  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -4.957   0.704   2.063  0.00  0.00    +0.115 C 
ATOM     16  C   LIG    1       -5.124   1.413   0.722  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1       -4.037   1.008  -0.270  0.00  0.00    +0.028 C 
BRANCH  15  18
ATOM     18  O   LIG    1       -6.053   1.056   2.899  0.00  0.00    -0.392 OA
ATOM     19  H   LIG    1       -5.933   0.602   3.751  0.00  0.00    +0.210 HD
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  20
ATOM     20  N   LIG    1        1.060   0.618   0.590  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1        0.371   0.930   1.256  0.00  0.00    +0.155 HD
BRANCH  20  24
ATOM     22  C   LIG    1        1.677   2.305   2.877  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1        2.733   1.682   2.001  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1        2.405   0.863   0.904  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        3.466   0.349   0.145  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        4.827   0.608   0.448  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        5.130   1.421   1.557  0.00  0.00    +0.072 A 
ATOM     28  N   LIG    1        6.386   1.722   1.926  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1        7.398   1.218   1.193  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        7.219   0.412   0.087  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1        5.915   0.093  -0.303  0.00  0.00    -0.040 A 
ATOM     32  C   LIG    1        5.710  -0.784  -1.507  0.00  0.00    +0.044 C 
ATOM     33  C   LIG    1        4.084   1.938   2.304  0.00  0.00    +0.033 A 
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4