REMARK  Name = BDB012342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.157  -2.256  -0.221  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.500  -2.608  -0.436  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        1.613  -3.951  -0.680  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.373  -4.422  -0.629  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -0.567  -3.427  -0.351  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.691  -1.794  -0.428  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        3.885  -2.421  -0.639  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        5.018  -1.690  -0.629  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        5.043  -0.330  -0.413  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        3.826   0.310  -0.201  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        2.634  -0.424  -0.214  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        3.743   1.767   0.055  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        2.729   2.383   0.329  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        4.934   2.381  -0.044  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        4.733   3.323   0.140  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1       -0.223  -1.000   0.051  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.633  -0.775   0.185  0.00  0.00    +0.270 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -3.245   1.179   0.222  0.00  0.00    +0.128 A 
ATOM     19  C   LIG    1       -1.943   0.686   0.452  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1       -0.970   1.554   0.978  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -1.268   2.893   1.231  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -2.548   3.370   0.979  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1       -2.920   5.022   1.293  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -3.538   2.522   0.482  0.00  0.00    +0.066 A 
BRANCH  18  26
ATOM     25  C   LIG    1       -5.469   0.724  -0.524  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.152   0.263  -0.247  0.00  0.00    -0.495 OA
ENDBRANCH  18  26
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7