REMARK  Name = BDB005012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.991   1.017  -2.324  0.00  0.00    -0.324 N 
ATOM      2  H   LIG    1        2.624   1.422  -3.006  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.662   0.974  -1.082  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        3.860   0.236  -0.976  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        4.507   0.254   0.276  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        5.713  -0.469   0.396  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        6.247  -1.191  -0.689  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        5.593  -1.216  -1.910  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.973   0.944   1.308  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        2.821   1.593   1.101  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1        4.407  -0.509  -2.051  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1        2.146   1.648  -0.044  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1        6.511  -0.529   1.662  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        7.567  -1.149   1.727  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        6.040   0.126   2.760  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        6.564   0.082   3.622  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        5.162   0.637   2.726  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1        0.696   1.690  -2.346  0.00  0.00    +0.138 C 
BRANCH  18  21
ATOM     19  C   LIG    1       -2.164   0.245  -0.243  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1       -1.127   1.073  -0.700  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -0.409   0.776  -1.870  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1       -0.737  -0.382  -2.587  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -1.762  -1.216  -2.144  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.471  -0.901  -0.982  0.00  0.00    +0.023 A 
BRANCH  19  25
ATOM     25  N   LIG    1       -2.838   0.618   0.936  0.00  0.00    -0.299 N 
ATOM     26  H   LIG    1       -2.192   0.777   1.705  0.00  0.00    +0.154 HD
BRANCH  25  30
ATOM     27  C   LIG    1       -7.546  -0.888   0.508  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -6.338  -0.556   1.328  0.00  0.00    -0.046 A 
ATOM     29  C   LIG    1       -5.158  -0.121   0.716  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1       -4.032   0.149   1.492  0.00  0.00    +0.123 A 
ATOM     31  N   LIG    1       -4.050   0.030   2.836  0.00  0.00    -0.240 NA
ATOM     32  C   LIG    1       -5.191  -0.407   3.412  0.00  0.00    +0.113 A 
ATOM     33  C   LIG    1       -6.343  -0.719   2.711  0.00  0.00    +0.023 A 
ENDBRANCH  25  30
ENDBRANCH  19  25
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 6