REMARK  Name = BDB060951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.986   0.558   0.456  0.00  0.00    -0.341 N 
ATOM      2  H   LIG    1       -1.521   0.739   1.320  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.488  -0.611  -0.148  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -2.854  -0.956  -0.000  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -3.396  -2.087  -0.631  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -2.594  -2.855  -1.465  0.00  0.00    +0.042 A 
ATOM      7 CL   LIG    1       -3.252  -4.235  -2.253  0.00  0.00    -0.084 Cl
ATOM      8  C   LIG    1       -1.264  -2.507  -1.674  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1       -0.722  -1.389  -1.029  0.00  0.00    +0.025 A 
BRANCH   4  10
ATOM     10  C   LIG    1       -3.732  -0.146   0.885  0.00  0.00    +0.195 C 
ATOM     11  O   LIG    1       -3.307   0.208   1.984  0.00  0.00    -0.287 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -5.103   0.244   0.466  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1       -6.077   0.428   1.455  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -7.374   0.800   1.099  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -7.699   1.000  -0.242  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.727   0.837  -1.230  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.428   0.465  -0.879  0.00  0.00    +0.012 A 
ENDBRANCH  10  12
ENDBRANCH   4  10
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1        0.461   0.709   0.692  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.073   1.587  -0.417  0.00  0.00    +0.169 C 
BRANCH  19  20
ATOM     20  O   LIG    1        0.321   2.806  -0.519  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -0.612   2.511  -0.450  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.540   1.909  -0.136  0.00  0.00    +0.262 C 
BRANCH  22  23
ATOM     23  O   LIG    1        3.273   0.688  -0.092  0.00  0.00    -0.486 OA
BRANCH  23  25
ATOM     24  C   LIG    1        5.179  -0.493   0.643  0.00  0.00    +0.161 A 
ATOM     25  C   LIG    1        4.578   0.743   0.330  0.00  0.00    +0.162 A 
ATOM     26  C   LIG    1        5.320   1.924   0.441  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        6.648   1.882   0.870  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.241   0.663   1.186  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.510  -0.522   1.072  0.00  0.00    +0.049 A 
BRANCH  24  31
ATOM     30  C   LIG    1        4.958  -2.866   0.798  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        4.380  -1.602   0.503  0.00  0.00    -0.491 OA
ENDBRANCH  24  31
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10