REMARK  Name = BDB051739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.160  -0.671  -1.282  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1        0.763  -0.353  -0.366  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1        2.040  -0.497  -0.746  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        3.076  -0.152   0.207  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1        3.001   0.111   1.542  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1        1.824   0.102   2.378  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1        4.205   0.392   2.096  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1        5.081   0.305   1.069  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1        4.411  -0.043  -0.129  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.887  -0.239  -1.528  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        3.908  -1.131  -2.336  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1        2.450  -0.925  -2.000  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1        1.422  -1.232  -2.854  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        0.122  -1.104  -2.521  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        6.516   0.562   1.257  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        7.349   0.515   0.358  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1        6.863   0.869   2.543  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        7.820   1.087   2.769  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        6.129   0.917   3.240  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1       -1.509  -0.565  -0.981  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -1.998  -0.595  -1.869  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.835   0.579  -0.156  0.00  0.00    +0.139 C 
BRANCH  22  26
ATOM     23  C   LIG    1       -6.142   0.930   0.126  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1       -5.483  -0.146   0.719  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -4.091  -0.255   0.626  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -3.338   0.710  -0.059  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -4.006   1.785  -0.656  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -5.396   1.891  -0.560  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -8.294   0.197   0.816  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -7.490   1.157   0.141  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  22  26
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5