REMARK  Name = BDB002603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.824   0.331  -0.438  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1       -1.948  -0.799  -1.282  0.00  0.00    +0.266 C 
ATOM      3  O   LIG    1       -1.109  -1.048  -2.153  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -3.103  -1.758  -1.166  0.00  0.00    +0.126 A 
ATOM      5  N   LIG    1       -3.789  -1.816   0.002  0.00  0.00    -0.250 NA
ATOM      6  C   LIG    1       -4.792  -2.716   0.087  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1       -5.153  -3.569  -0.942  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -4.438  -3.502  -2.132  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -3.393  -2.588  -2.248  0.00  0.00    +0.033 A 
ENDBRANCH   2   4
BRANCH   1  10
ATOM     10  C   LIG    1       -0.534   1.119  -0.520  0.00  0.00    +0.111 C 
ATOM     11  C   LIG    1       -0.414   2.229   0.555  0.00  0.00    +0.042 C 
BRANCH  10  12
ATOM     12  C   LIG    1        0.627   0.120  -0.135  0.00  0.00    +0.237 C 
ATOM     13  N   LIG    1        1.899   0.478  -0.548  0.00  0.00    -0.311 N 
ATOM     14  H   LIG    1        2.040   1.367  -1.002  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1        0.449  -0.861   0.591  0.00  0.00    -0.273 OA
BRANCH  13  16
ATOM     16  C   LIG    1        3.077  -0.278  -0.152  0.00  0.00    +0.073 C 
ATOM     17  C   LIG    1        3.551   0.153   1.242  0.00  0.00    +0.022 C 
ATOM     18  C   LIG    1        4.829  -0.574   1.653  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1        5.933  -0.405   0.613  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1        5.467  -0.831  -0.775  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1        4.192  -0.102  -1.189  0.00  0.00    +0.022 C 
ENDBRANCH  13  16
ENDBRANCH  10  12
BRANCH  10  23
ATOM     22  C   LIG    1        0.223   3.093  -2.117  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -0.395   1.705  -1.966  0.00  0.00    +0.032 C 
ENDBRANCH  10  23
ENDBRANCH   1  10
BRANCH   1  24
ATOM     24  C   LIG    1       -2.994   0.922   0.221  0.00  0.00    +0.183 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.966   0.726   1.694  0.00  0.00    +0.122 A 
ATOM     26  O   LIG    1       -3.570   1.699   2.441  0.00  0.00    -0.466 OA
ATOM     27  C   LIG    1       -3.434   1.341   3.744  0.00  0.00    +0.195 A 
ATOM     28  C   LIG    1       -2.751   0.153   3.851  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1       -2.448  -0.245   2.528  0.00  0.00    +0.046 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7