REMARK  Name = BDB032311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.190   0.111  -0.799  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -0.688  -0.957  -0.839  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1       -2.014  -0.863  -0.581  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1       -2.549   0.335  -0.252  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -1.725   1.458  -0.206  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -0.358   1.349  -0.480  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.905   0.379   0.011  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1       -4.724  -0.806  -0.375  0.00  0.00    +0.148 C 
ATOM      9  C   LIG    1       -6.088  -0.828   0.265  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -6.447   0.116   1.180  0.00  0.00    -0.265 N 
ATOM     11  N   LIG    1       -7.684  -0.043   1.680  0.00  0.00    -0.179 NA
ATOM     12  C   LIG    1       -8.130  -1.134   1.052  0.00  0.00    +0.134 A 
ATOM     13  C   LIG    1       -5.588   1.182   1.635  0.00  0.00    +0.162 C 
ATOM     14  C   LIG    1       -7.176  -1.671   0.165  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -4.604   1.560   0.534  0.00  0.00    +0.130 C 
BRANCH   8  16
ATOM     16  C   LIG    1       -4.847  -0.900  -1.925  0.00  0.00    +0.184 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -5.240   0.347  -2.513  0.00  0.00    -0.393 OA
ATOM     18  H   LIG    1       -4.567   0.981  -2.205  0.00  0.00    +0.209 HD
ENDBRANCH  16  17
ENDBRANCH   8  16
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1        1.650  -0.058  -1.114  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.454   0.410   0.009  0.00  0.00    -0.340 N 
ATOM     21  H   LIG    1        2.063   0.131   0.907  0.00  0.00    +0.146 HD
BRANCH  20  26
ATOM     22  C   LIG    1        8.118   0.140   0.130  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1        6.702   0.193   0.053  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        5.973   0.359   1.253  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        4.556   0.411   1.180  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        3.844   0.276  -0.022  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        4.585   0.153  -1.194  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        6.697   0.468   2.458  0.00  0.00    +0.067 A 
ATOM     29 CL   LIG    1        5.941   0.674   3.998  0.00  0.00    -0.081 Cl
ATOM     30  C   LIG    1        8.080   0.403   2.416  0.00  0.00    +0.133 A 
ATOM     31  C   LIG    1        5.983   0.098  -1.159  0.00  0.00    +0.014 A 
ATOM     32  N   LIG    1        8.797   0.241   1.285  0.00  0.00    -0.239 NA
BRANCH  22  33
ATOM     33  N   LIG    1        8.908  -0.020  -1.017  0.00  0.00    -0.343 N 
ATOM     34  H   LIG    1        8.664  -0.888  -1.482  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1        8.742   0.752  -1.654  0.00  0.00    +0.144 HD
ENDBRANCH  22  33
ENDBRANCH  20  26
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7