REMARK  Name = BDB025440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.654   1.955   0.530  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        3.758   0.912   0.688  0.00  0.00    -0.261 N 
ATOM      3  C   LIG    1        2.360   1.286   0.951  0.00  0.00    +0.168 C 
ATOM      4  C   LIG    1        1.450   0.117   0.741  0.00  0.00    +0.086 A 
ATOM      5  N   LIG    1        0.120   0.198   0.826  0.00  0.00    -0.165 NA
ATOM      6  N   LIG    1       -0.323  -1.074   0.574  0.00  0.00    -0.185 N 
ATOM      7  C   LIG    1        0.753  -1.952   0.379  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -1.701  -1.382   0.534  0.00  0.00    +0.257 C 
ATOM      9  O   LIG    1       -2.050  -2.540   0.302  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.893  -1.195   0.473  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        3.331  -1.534   0.349  0.00  0.00    +0.059 C 
ATOM     12  C   LIG    1        4.189  -0.455   1.034  0.00  0.00    +0.116 C 
ATOM     13  O   LIG    1        4.322   3.133   0.458  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1       -2.651  -0.215   0.781  0.00  0.00    +0.113 C 
ATOM     15  C   LIG    1       -3.227   0.318  -0.519  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1       -4.560   0.055  -0.880  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1       -5.060   0.604  -2.069  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -4.244   1.349  -2.921  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -2.918   1.585  -2.576  0.00  0.00    +0.000 A 
ATOM     20  N   LIG    1       -5.449  -0.600  -0.016  0.00  0.00    -0.344 N 
ATOM     21  H   LIG    1       -6.198  -1.064  -0.524  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1       -4.852  -1.436   1.013  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1       -2.414   1.080  -1.379  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -3.761  -0.667   1.745  0.00  0.00    +0.036 C 
ENDBRANCH   8  14
BRANCH   7  25
ATOM     25  N   LIG    1        0.610  -3.277   0.150  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1        1.359  -3.826  -0.263  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -0.325  -3.651  -0.052  0.00  0.00    +0.144 HD
ENDBRANCH   7  25
BRANCH   1  29
ATOM     28  C   LIG    1        6.897   2.582   0.288  0.00  0.00    +0.282 C 
ATOM     29  O   LIG    1        5.945   1.532   0.460  0.00  0.00    -0.454 OA
ENDBRANCH   1  29
TORSDOF 3