REMARK  Name = BDB022243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.583   0.061  -0.370  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        0.232  -0.120  -0.038  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -0.445  -1.340  -0.255  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -1.890  -1.497   0.068  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.414  -2.726  -0.037  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -1.664  -3.902  -0.521  0.00  0.00    +0.253 A 
ATOM      7  N   LIG    1       -0.352  -3.700  -0.913  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        0.392  -4.838  -1.428  0.00  0.00    +0.152 C 
ATOM      9  O   LIG    1       -2.248  -4.984  -0.567  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1        0.283  -2.430  -0.768  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1        1.635  -2.251  -1.104  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        2.272  -1.021  -0.909  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        2.188   1.302  -0.094  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        1.523   2.074  -0.102  0.00  0.00    +0.152 HD
BRANCH  13  21
ATOM     15  C   LIG    1        6.726   0.130   1.520  0.00  0.00    +0.066 C 
ATOM     16  C   LIG    1        5.764   1.102   0.904  0.00  0.00    +0.042 A 
ATOM     17  N   LIG    1        6.242   2.315   0.560  0.00  0.00    -0.239 NA
ATOM     18  C   LIG    1        5.369   3.193   0.017  0.00  0.00    +0.149 A 
ATOM     19 CL   LIG    1        6.111   4.700  -0.372  0.00  0.00    -0.061 Cl
ATOM     20  C   LIG    1        4.026   2.928  -0.209  0.00  0.00    +0.110 A 
ATOM     21  C   LIG    1        3.533   1.661   0.150  0.00  0.00    +0.054 A 
ATOM     22  C   LIG    1        4.434   0.745   0.712  0.00  0.00    +0.047 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.174   3.914  -0.791  0.00  0.00    +0.104 C 
ATOM     24  N   LIG    1        2.433   4.686  -1.242  0.00  0.00    -0.191 NA
ENDBRANCH  20  23
ENDBRANCH  13  21
ENDBRANCH   1  13
BRANCH   4  25
ATOM     25  N   LIG    1       -2.602  -0.368   0.453  0.00  0.00    -0.334 N 
ATOM     26  H   LIG    1       -2.253   0.502   0.044  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -4.061  -0.247   0.639  0.00  0.00    +0.135 C 
ATOM     28  C   LIG    1       -4.401  -0.541   2.099  0.00  0.00    +0.036 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -4.545   1.160   0.259  0.00  0.00    +0.149 A 
ATOM     30  N   LIG    1       -3.605   2.097  -0.021  0.00  0.00    -0.238 NA
ATOM     31  C   LIG    1       -4.058   3.316  -0.368  0.00  0.00    +0.114 A 
ATOM     32  C   LIG    1       -5.393   3.635  -0.450  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -6.267   2.617  -0.153  0.00  0.00    +0.114 A 
ATOM     34  N   LIG    1       -5.876   1.377   0.200  0.00  0.00    -0.238 NA
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 6