REMARK  Name = BDB045732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.738   0.541  -0.065  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        0.505  -0.037   0.153  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1        1.472   0.939  -0.045  0.00  0.00    +0.123 A 
ATOM      4  N   LIG    1        2.801   0.660   0.056  0.00  0.00    -0.241 NA
ATOM      5  C   LIG    1        3.083  -0.621   0.348  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.078  -1.605   0.541  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1        2.460  -2.907   0.838  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        3.803  -3.267   0.952  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        4.786  -2.305   0.765  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        4.416  -0.993   0.465  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        0.824   2.168  -0.322  0.00  0.00    +0.103 A 
ATOM     12  N   LIG    1        0.767  -1.333   0.449  0.00  0.00    -0.225 NA
ATOM     13  C   LIG    1       -0.541   1.908  -0.283  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1       -2.805   0.763  -2.276  0.00  0.00    +0.046 C 
ATOM     15  C   LIG    1       -2.984  -0.001  -0.991  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1       -1.986  -0.150  -0.003  0.00  0.00    +0.056 A 
ATOM     17  C   LIG    1       -2.202  -1.008   1.092  0.00  0.00    +0.072 A 
ATOM     18  C   LIG    1       -3.423  -1.657   1.234  0.00  0.00    +0.119 A 
ATOM     19  C   LIG    1       -4.436  -1.474   0.306  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -4.217  -0.653  -0.801  0.00  0.00    +0.009 A 
BRANCH  18  21
ATOM     21  O   LIG    1       -3.670  -2.483   2.290  0.00  0.00    -0.507 OA
ATOM     22  H   LIG    1       -2.855  -2.564   2.813  0.00  0.00    +0.292 HD
ENDBRANCH  18  21
ENDBRANCH   1  16
BRANCH  11  23
ATOM     23  C   LIG    1        1.428   3.471  -0.549  0.00  0.00    +0.247 C 
ATOM     24  O   LIG    1        0.788   4.511  -0.676  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1        2.792   3.489  -0.604  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        3.335   2.648  -0.439  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1        3.259   4.376  -0.716  0.00  0.00    +0.145 HD
ENDBRANCH  11  23
BRANCH  13  28
ATOM     28  N   LIG    1       -1.565   2.795  -0.380  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1       -2.484   2.587   0.006  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -1.343   3.796  -0.369  0.00  0.00    +0.144 HD
ENDBRANCH  13  28
TORSDOF 4