REMARK  Name = BDB034746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.390   1.485   1.502  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1        0.790   1.595   0.753  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        1.276   2.890   0.907  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        2.428   3.305   0.279  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        3.093   2.365  -0.521  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.623   1.031  -0.676  0.00  0.00    +0.034 A 
ATOM      7  N   LIG    1        0.394   3.588   1.740  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        0.520   4.965   2.116  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        1.430   0.661  -0.040  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -0.667   2.731   2.107  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -1.633   3.008   2.800  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        3.331   0.178  -1.551  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        4.257   0.527  -1.779  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.265  -1.228  -1.738  0.00  0.00    +0.146 A 
ATOM     15  C   LIG    1        4.010  -1.803  -2.770  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1        5.066  -0.895  -3.781  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1        3.881  -3.166  -2.946  0.00  0.00    +0.137 A 
ATOM     18  N   LIG    1        3.085  -3.944  -2.190  0.00  0.00    -0.224 NA
ATOM     19  C   LIG    1        2.410  -3.292  -1.236  0.00  0.00    +0.224 A 
ATOM     20 CL   LIG    1        1.370  -4.228  -0.260  0.00  0.00    -0.041 Cl
ATOM     21  N   LIG    1        2.455  -1.981  -0.968  0.00  0.00    -0.201 NA
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  22
ATOM     22  C   LIG    1       -1.234   0.317   1.573  0.00  0.00    +0.130 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.210   0.253   0.398  0.00  0.00    +0.056 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.100  -1.008   0.351  0.00  0.00    +0.065 C 
ATOM     25  C   LIG    1       -3.979  -1.127   1.599  0.00  0.00    +0.041 C 
BRANCH  24  27
ATOM     26  C   LIG    1       -3.065  -3.550  -0.114  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -2.253  -2.279   0.119  0.00  0.00    +0.031 C 
ENDBRANCH  24  27
BRANCH  24  28
ATOM     28  O   LIG    1       -3.970  -0.859  -0.781  0.00  0.00    -0.389 OA
ATOM     29  H   LIG    1       -4.526  -0.075  -0.631  0.00  0.00    +0.210 HD
ENDBRANCH  24  28
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7