REMARK  Name = BDB022213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.270   1.484  -0.007  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.185   1.313   0.265  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.941   2.395   0.757  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -2.303   2.205   1.038  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -2.924   0.973   0.810  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.207  -0.102   0.294  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.321   3.668   0.934  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -1.092   4.797   1.429  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1        1.002   3.883   0.593  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1        1.578   4.968   0.670  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -0.845   0.089   0.017  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        1.778   2.716   0.126  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        2.003   0.361  -0.379  0.00  0.00    -0.334 N 
ATOM     14  H   LIG    1        1.658  -0.502   0.041  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.463   0.267  -0.580  0.00  0.00    +0.139 C 
ATOM     16  C   LIG    1        3.776   0.663  -2.027  0.00  0.00    +0.036 C 
BRANCH  15  21
ATOM     17  C   LIG    1        6.665  -3.425   0.356  0.00  0.00    +0.112 C 
ATOM     18  C   LIG    1        5.491  -2.569   0.118  0.00  0.00    +0.224 A 
ATOM     19  O   LIG    1        4.269  -3.170   0.203  0.00  0.00    -0.338 OA
ATOM     20  N   LIG    1        3.320  -2.178  -0.053  0.00  0.00    -0.059 NA
ATOM     21  C   LIG    1        4.071  -1.086  -0.274  0.00  0.00    +0.191 A 
ATOM     22  N   LIG    1        5.427  -1.289  -0.169  0.00  0.00    -0.194 NA
ENDBRANCH  15  21
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1       -2.797  -1.343  -0.014  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1       -2.139  -2.118   0.035  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.127  -1.692  -0.342  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1       -4.655  -2.954  -0.012  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1       -5.983  -3.211  -0.325  0.00  0.00    +0.148 A 
ATOM     28 CL   LIG    1       -6.761  -4.710   0.019  0.00  0.00    -0.061 Cl
ATOM     29  N   LIG    1       -6.812  -2.328  -0.927  0.00  0.00    -0.242 NA
ATOM     30  C   LIG    1       -6.291  -1.127  -1.234  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1       -4.981  -0.769  -0.961  0.00  0.00    +0.044 A 
BRANCH  26  32
ATOM     32  C   LIG    1       -3.851  -3.944   0.631  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1       -3.153  -4.721   1.137  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6