REMARK  Name = BDB003877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.719  -0.144  -0.496  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1       -0.236  -0.584   0.543  0.00  0.00    +0.121 C 
ATOM      3  C   LIG    1       -1.620  -0.079   0.066  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -2.238  -1.093  -0.900  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -1.951  -2.289  -0.901  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.212  -0.646  -1.765  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -3.421  -1.359  -2.457  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -4.395  -0.029  -1.439  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.387  -0.231  -2.140  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.466   0.867  -0.225  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -4.040   0.148   1.040  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -2.533   0.145   1.285  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -1.207   1.226  -0.644  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1        0.100   0.872  -1.348  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1  17
ATOM     15  C   LIG    1        2.555  -2.363  -0.515  0.00  0.00    +0.046 C 
ATOM     16  C   LIG    1        2.934  -1.002   0.010  0.00  0.00    -0.027 A 
ATOM     17  C   LIG    1        2.012   0.069  -0.009  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        2.417   1.314   0.504  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        3.701   1.507   1.021  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        4.601   0.438   1.038  0.00  0.00    +0.127 A 
ATOM     21  C   LIG    1        4.223  -0.814   0.541  0.00  0.00    +0.038 A 
BRANCH  20  22
ATOM     22  N   LIG    1        5.948   0.630   1.587  0.00  0.00    +0.056 N 
ATOM     23  O   LIG    1        6.717  -0.342   1.587  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1        6.239   1.755   2.020  0.00  0.00    -0.126 OA
ENDBRANCH  20  22
ENDBRANCH   1  17
TORSDOF 2