REMARK  Name = BDB021136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.134   2.473  -1.703  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -0.425   1.339  -0.875  0.00  0.00    +0.111 A 
ATOM      3  N   LIG    1        0.445   0.497  -0.204  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -0.047  -0.633   0.452  0.00  0.00    +0.262 A 
ATOM      5  O   LIG    1        0.673  -1.514   0.917  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -1.507  -0.762   0.559  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1       -2.282   0.194  -0.086  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1       -3.672   0.102   0.000  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -4.274  -0.933   0.722  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.485  -1.888   1.362  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.096  -1.807   1.282  0.00  0.00    +0.015 A 
ATOM     12  N   LIG    1       -1.714   1.232  -0.829  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1        1.907   0.634  -0.293  0.00  0.00    +0.186 C 
ATOM     14  C   LIG    1        2.487  -0.425  -1.212  0.00  0.00    +0.243 C 
ATOM     15  O   LIG    1        2.100  -0.688  -2.340  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1        3.523  -1.027  -0.576  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        4.048  -1.790  -0.971  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        3.691  -0.600   0.700  0.00  0.00    +0.222 C 
ATOM     19  O   LIG    1        4.543  -1.012   1.470  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        2.702   0.489   1.007  0.00  0.00    +0.130 C 
ENDBRANCH   3  13
TORSDOF 1