REMARK  Name = BDB039149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.506   1.413  -0.896  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.949   0.909   0.272  0.00  0.00    -0.260 N 
ATOM      3  C   LIG    1        5.340  -0.345   0.931  0.00  0.00    +0.081 C 
ATOM      4  C   LIG    1        6.836  -0.601   1.103  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.615  -1.511   0.242  0.00  0.00    +0.058 C 
ATOM      6  C   LIG    1        3.126  -1.231   0.115  0.00  0.00    -0.039 A 
ATOM      7  C   LIG    1        2.255  -2.294  -0.163  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.879  -2.093  -0.302  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        0.402  -0.786  -0.149  0.00  0.00    +0.069 A 
ATOM     10  N   LIG    1       -0.865  -0.234  -0.199  0.00  0.00    -0.327 N 
ATOM     11  C   LIG    1       -0.747   1.129   0.001  0.00  0.00    +0.114 A 
ATOM     12  N   LIG    1        0.517   1.447   0.216  0.00  0.00    -0.232 NA
ATOM     13  C   LIG    1        1.240   0.289   0.111  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        2.631   0.099   0.232  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.555   1.264   0.525  0.00  0.00    +0.149 C 
ATOM     16  O   LIG    1        5.053   2.365  -1.522  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.838   2.170  -0.030  0.00  0.00    +0.055 C 
ATOM     18  C   LIG    1       -2.949   1.943   1.000  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1       -3.975   3.075   0.968  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1       -4.537   3.280  -0.436  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -3.429   3.526  -1.457  0.00  0.00    +0.001 C 
ATOM     22  C   LIG    1       -2.386   2.408  -1.444  0.00  0.00    +0.011 C 
ENDBRANCH  11  17
BRANCH   1  24
ATOM     23  C   LIG    1        7.212   1.234  -2.492  0.00  0.00    +0.282 C 
ATOM     24  O   LIG    1        6.618   0.739  -1.292  0.00  0.00    -0.454 OA
ENDBRANCH   1  24
BRANCH  10  25
ATOM     25  C   LIG    1       -2.067  -1.012  -0.435  0.00  0.00    +0.128 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.527  -1.766   0.815  0.00  0.00    +0.057 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.810  -2.517   0.560  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1       -3.782  -3.795  -0.015  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -4.970  -4.479  -0.274  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.196  -3.892   0.035  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.234  -2.620   0.604  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.048  -1.934   0.864  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 5