REMARK  Name = BDB050651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.447  -0.533  -0.225  0.00  0.00    +0.282 C 
ATOM      2  N   LIG    1       -0.618   0.103   0.458  0.00  0.00    -0.291 N 
ATOM      3  O   LIG    1        0.242  -1.611  -0.788  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  12
ATOM      4  N   LIG    1        2.950  -0.544  -0.700  0.00  0.00    -0.320 N 
ATOM      5  C   LIG    1        4.001   0.337  -0.557  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1        3.411   1.490  -0.058  0.00  0.00    +0.090 A 
ATOM      7  C   LIG    1        4.201   2.619   0.202  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        5.577   2.551  -0.047  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        6.152   1.381  -0.543  0.00  0.00    +0.002 A 
ATOM     10  N   LIG    1        2.066   1.316   0.111  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        5.376   0.246  -0.810  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.788   0.074  -0.257  0.00  0.00    +0.198 A 
BRANCH   4  14
ATOM     13  C   LIG    1        3.160  -2.939  -0.128  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1        3.072  -1.893  -1.225  0.00  0.00    +0.120 C 
ENDBRANCH   4  14
ENDBRANCH   1  12
BRANCH   2  15
ATOM     15  C   LIG    1       -1.968  -0.498   0.425  0.00  0.00    +0.091 C 
ATOM     16  C   LIG    1       -2.558  -0.663  -0.984  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1       -4.018  -1.170  -0.928  0.00  0.00    +0.030 C 
ATOM     18  C   LIG    1       -4.384  -1.759   0.450  0.00  0.00    +0.086 C 
ATOM     19  N   LIG    1       -3.312  -2.597   0.975  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1       -3.599  -3.047   1.843  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -2.071  -1.835   1.208  0.00  0.00    +0.103 C 
BRANCH  17  22
ATOM     22  C   LIG    1       -4.263  -2.161  -2.074  0.00  0.00    +0.160 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -5.641  -2.506  -2.158  0.00  0.00    -0.395 OA
ATOM     24  H   LIG    1       -5.766  -3.298  -1.607  0.00  0.00    +0.209 HD
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   2  15
BRANCH   2  25
ATOM     25  C   LIG    1       -0.423   1.215   1.402  0.00  0.00    +0.111 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -0.592   2.611   0.768  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        0.025   3.672   1.684  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -2.059   2.960   0.507  0.00  0.00    +0.009 C 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 7