REMARK  Name = BDB012279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.660  -0.036  -0.018  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        1.334  -1.235  -0.663  0.00  0.00    +0.217 A 
ATOM      3  C   LIG    1       -0.040  -1.304  -0.686  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -0.493  -0.121  -0.069  0.00  0.00    +0.104 A 
ATOM      5  N   LIG    1        0.526   0.648   0.322  0.00  0.00    -0.163 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        5.342   0.432   0.344  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        4.122  -0.174   0.027  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.950   0.523   0.295  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        2.980   1.761   0.869  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        4.172   2.304   1.190  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        5.377   1.683   0.950  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        7.568  -0.204   0.859  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        6.627  -0.253   0.087  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.665  -0.892  -1.100  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.912  -0.717  -1.694  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1        2.229  -2.095  -1.147  0.00  0.00    -0.492 OA
ATOM     17  H   LIG    1        1.733  -2.845  -1.526  0.00  0.00    +0.294 HD
ENDBRANCH   2  16
BRANCH   4  18
ATOM     18  C   LIG    1       -1.905   0.327   0.167  0.00  0.00    +0.286 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.851  -0.612  -0.361  0.00  0.00    -0.486 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -4.176  -0.312  -0.203  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -5.055  -1.261  -0.733  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1       -6.436  -1.082  -0.643  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -6.949   0.052  -0.018  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.080   1.002   0.513  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -4.695   0.823   0.422  0.00  0.00    +0.045 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 7