REMARK  Name = BDB051731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.523   1.265  -0.214  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1       -1.443   0.387   0.197  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1       -2.715   0.675  -0.118  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -3.748  -0.256   0.296  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1       -3.679  -1.341   1.118  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1       -2.526  -1.849   1.824  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1       -4.863  -1.972   1.255  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1       -5.724  -1.286   0.479  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1       -5.060  -0.188  -0.136  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -5.489   0.837  -1.132  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.573   2.088  -1.093  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1       -3.117   1.789  -0.837  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1       -2.094   2.626  -1.200  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -0.801   2.380  -0.910  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -7.129  -1.702   0.356  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -7.519  -2.866   0.344  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -8.044  -0.681   0.296  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -7.796   0.211   0.700  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -9.001  -0.987   0.416  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1        0.786   0.962   0.126  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        0.810  -0.026   0.346  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.766   1.386  -0.853  0.00  0.00    +0.139 C 
BRANCH  22  26
ATOM     23  C   LIG    1        5.636  -0.206   0.288  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        4.963  -0.711  -0.826  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        3.714  -0.197  -1.197  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        3.119   0.835  -0.463  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        3.792   1.336   0.658  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        5.038   0.822   1.027  0.00  0.00    +0.023 A 
BRANCH  23  31
ATOM     29  C   LIG    1        8.954  -1.885   0.924  0.00  0.00    +0.109 C 
ATOM     30  C   LIG    1        7.666  -1.670   0.168  0.00  0.00    +0.214 C 
ATOM     31  N   LIG    1        6.894  -0.668   0.727  0.00  0.00    -0.286 N 
ATOM     32  H   LIG    1        7.265  -0.214   1.551  0.00  0.00    +0.155 HD
ATOM     33  O   LIG    1        7.391  -2.360  -0.807  0.00  0.00    -0.276 OA
ENDBRANCH  23  31
ENDBRANCH  22  26
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5