REMARK  Name = BDB052393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.624   0.183   1.274  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        0.246  -0.024   0.274  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1        1.515   0.344   0.504  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        2.491   0.136  -0.549  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1        2.321  -0.095  -1.880  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1        1.084  -0.194  -2.618  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1        3.489  -0.211  -2.547  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1        4.449  -0.020  -1.622  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1        3.857   0.221  -0.351  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.423   0.521   0.997  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        3.414   1.316   1.866  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1        1.978   0.885   1.694  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1        1.008   1.077   2.641  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -0.281   0.738   2.451  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        5.875  -0.080  -1.980  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        6.338   0.211  -3.079  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1        6.715  -0.538  -0.995  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        7.647  -0.755  -1.322  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        6.336  -1.127  -0.267  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1       -1.973  -0.129   1.142  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1       -2.488   0.229   1.947  0.00  0.00    +0.155 HD
BRANCH  20  23
ATOM     22  C   LIG    1       -4.145  -0.716   0.158  0.00  0.00    +0.080 A 
ATOM     23  C   LIG    1       -2.733  -0.832   0.192  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -2.124  -1.632  -0.788  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1       -2.872  -2.299  -1.764  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.255  -2.177  -1.786  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.892  -1.391  -0.828  0.00  0.00    +0.017 A 
BRANCH  22  28
ATOM     28  C   LIG    1       -4.849   0.112   1.183  0.00  0.00    +0.341 C 
ATOM     29  O   LIG    1       -4.323   0.507   2.213  0.00  0.00    -0.245 OA
BRANCH  28  31
ATOM     30  C   LIG    1       -6.858   1.174   1.733  0.00  0.00    +0.280 C 
ATOM     31  O   LIG    1       -6.128   0.369   0.806  0.00  0.00    -0.464 OA
ENDBRANCH  28  31
ENDBRANCH  22  28
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 5