REMARK  Name = BDB029250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.025  -0.207  -0.858  0.00  0.00    +0.058 C 
ATOM      2  C   LIG    1       -1.426  -1.544  -0.517  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.045  -1.458  -0.512  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1        0.613  -2.634  -0.209  0.00  0.00    +0.141 A 
ATOM      5  N   LIG    1       -0.051  -3.765   0.098  0.00  0.00    -0.219 NA
ATOM      6  C   LIG    1       -1.398  -3.710   0.065  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1        0.423  -0.185  -0.893  0.00  0.00    -0.295 N 
ATOM      8  N   LIG    1       -2.147  -2.642  -0.246  0.00  0.00    -0.238 NA
ATOM      9  C   LIG    1       -0.769   0.518  -1.409  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        1.613   0.509  -0.665  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1        2.412   0.244   0.465  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        3.593   0.972   0.669  0.00  0.00    +0.113 A 
ATOM     13  C   LIG    1        3.949   1.939  -0.253  0.00  0.00    +0.157 A 
ATOM     14  O   LIG    1        5.123   2.497   0.160  0.00  0.00    -0.425 OA
ATOM     15  C   LIG    1        5.399   1.840   1.323  0.00  0.00    +0.286 A 
ATOM     16  C   LIG    1        3.216   2.255  -1.385  0.00  0.00    +0.050 A 
ATOM     17  N   LIG    1        4.532   0.919   1.669  0.00  0.00    -0.196 NA
ATOM     18  C   LIG    1        2.036   1.515  -1.563  0.00  0.00    +0.027 A 
BRANCH  15  19
ATOM     19  N   LIG    1        6.523   2.196   1.948  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1        7.234   2.629   1.373  0.00  0.00    +0.147 HD
ATOM     21  H   LIG    1        6.884   1.509   2.600  0.00  0.00    +0.147 HD
ENDBRANCH  15  19
ENDBRANCH   7  10
BRANCH   4  22
ATOM     22  N   LIG    1        2.002  -2.741  -0.200  0.00  0.00    -0.342 N 
ATOM     23  H   LIG    1        2.249  -3.714  -0.057  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1        2.409  -2.336  -1.035  0.00  0.00    +0.144 HD
ENDBRANCH   4  22
BRANCH   1  25
ATOM     25  C   LIG    1       -2.600   0.531   0.364  0.00  0.00    +0.014 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -4.295   0.733   2.207  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -3.855  -0.102   1.000  0.00  0.00    -0.017 C 
ATOM     28  C   LIG    1       -5.014  -0.230   0.012  0.00  0.00    +0.007 C 
ENDBRANCH  25  27
ENDBRANCH   1  25
TORSDOF 5