REMARK  Name = BDB012863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.092   0.981  -1.311  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.232   0.213  -2.084  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        1.040   0.772  -2.543  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.005  -0.422  -2.545  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.081  -1.585  -2.897  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.220  -1.242  -2.180  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.811   2.137  -1.003  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.111  -0.324   0.263  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -4.222  -0.865  -0.957  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -3.163  -0.380  -1.624  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -3.084  -0.592  -2.613  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.311   0.363  -0.859  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -2.941   0.466   0.366  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -5.861   0.701   1.738  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -5.158  -0.588   1.307  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -4.571  -1.310   2.522  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        2.625  -0.614  -1.236  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1        2.043  -0.961  -0.485  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.731   0.138  -0.879  0.00  0.00    +0.218 C 
ATOM     20  O   LIG    1        4.343   0.835  -1.681  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.131  -0.025   0.576  0.00  0.00    +0.090 C 
ATOM     22  C   LIG    1        5.346   0.811   0.951  0.00  0.00    +0.093 C 
ATOM     23  N   LIG    1        5.185   1.045   2.394  0.00  0.00    -0.315 NA
ATOM     24  H   LIG    1        5.392   0.179   2.893  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1        3.760   1.350   2.540  0.00  0.00    +0.081 C 
ATOM     26  C   LIG    1        3.048   0.431   1.557  0.00  0.00    +0.029 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4