REMARK  Name = BDB062255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.622  -0.337   2.174  0.00  0.00    -0.250 N 
ATOM      2  N   LIG    1       -2.506   0.539   2.692  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1       -3.546   0.586   1.870  0.00  0.00    -0.128 NA
ATOM      4  C   LIG    1       -3.321  -0.296   0.843  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1       -2.103  -0.910   1.036  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -4.241  -0.536  -0.254  0.00  0.00    +0.093 A 
ATOM      7  N   LIG    1       -3.881  -1.485  -1.159  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1       -4.723  -1.721  -2.187  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1       -5.920  -1.056  -2.364  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -6.273  -0.087  -1.425  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -5.425   0.182  -0.351  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -7.556   0.627  -1.612  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1       -8.342   0.445  -2.522  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -7.791   1.535  -0.650  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -8.656   1.927  -0.891  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   4   6
BRANCH   1  16
ATOM     16  C   LIG    1       -0.410  -0.655   2.893  0.00  0.00    +0.160 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.876  -0.566   2.056  0.00  0.00    +0.107 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.135   0.739   1.427  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1        1.373   1.804   2.399  0.00  0.00    +0.104 C 
BRANCH  18  20
ATOM     20  C   LIG    1        2.183   0.677   0.395  0.00  0.00    +0.084 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.586   0.276   0.874  0.00  0.00    +0.015 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.641   0.336  -0.239  0.00  0.00    +0.001 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.407  -0.691  -1.351  0.00  0.00    -0.000 C 
BRANCH  23  25
ATOM     24  C   LIG    1        5.792   0.490  -3.140  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        5.573  -0.784  -2.339  0.00  0.00    -0.003 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 11