REMARK  Name = BDB012373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.400  -1.697  -0.077  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.468  -1.891   0.813  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        1.279  -3.025   1.557  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.113  -3.516   1.154  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -0.476  -2.742   0.152  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.654  -1.099   1.030  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        3.558  -1.559   1.945  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        4.691  -0.861   2.162  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        4.982   0.325   1.527  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.043   0.807   0.620  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        2.875   0.088   0.346  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.268   2.074  -0.110  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        3.987   2.219  -1.285  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        4.765   3.055   0.671  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        4.775   2.862   1.627  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.361  -0.662  -0.927  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.751  -0.586  -1.832  0.00  0.00    +0.267 C 
BRANCH  17  23
ATOM     18  C   LIG    1       -5.373   2.001   0.640  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -4.194   1.346  -0.018  0.00  0.00    -0.049 A 
ATOM     20  C   LIG    1       -4.374   0.249  -0.867  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -3.275  -0.386  -1.460  0.00  0.00    +0.048 A 
ATOM     22 CL   LIG    1       -3.606  -1.712  -2.518  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -1.968   0.049  -1.195  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -1.799   1.155  -0.343  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -2.897   1.788   0.247  0.00  0.00    +0.004 A 
ENDBRANCH  17  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6