REMARK  Name = BDB003478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.009  -0.363   0.218  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        1.096   1.033   0.188  0.00  0.00    +0.073 A 
ATOM      3  C   LIG    1       -0.104   1.756   0.277  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -1.346   1.134   0.379  0.00  0.00    +0.110 A 
ATOM      5  N   LIG    1       -2.363   2.063   0.436  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -1.763   3.228   0.384  0.00  0.00    +0.200 A 
ATOM      7  C   LIG    1       -1.443  -0.277   0.391  0.00  0.00    +0.059 A 
ATOM      8  N   LIG    1       -0.402   3.101   0.287  0.00  0.00    -0.327 N 
ATOM      9  C   LIG    1       -0.237  -0.997   0.315  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        0.546   4.206   0.211  0.00  0.00    +0.083 C 
ATOM     11  C   LIG    1        0.345   5.033  -1.059  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1        0.494   5.083   1.462  0.00  0.00    +0.030 C 
ENDBRANCH   8  10
BRANCH   7  13
ATOM     13  N   LIG    1       -2.693  -0.922   0.508  0.00  0.00    -0.338 N 
ATOM     14  H   LIG    1       -3.404  -0.186   0.562  0.00  0.00    +0.146 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.993  -1.837  -0.589  0.00  0.00    +0.137 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.436  -2.275  -0.494  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1       -4.842  -3.163   0.513  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -6.174  -3.567   0.609  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -7.116  -3.083  -0.297  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -6.727  -2.191  -1.296  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.395  -1.786  -1.393  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   7  13
BRANCH   1  22
ATOM     22  O   LIG    1        2.065  -1.232   0.144  0.00  0.00    -0.486 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.404  -0.729   0.243  0.00  0.00    +0.199 C 
BRANCH  23  25
ATOM     24  C   LIG    1        3.955  -1.541  -2.138  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1        3.954  -0.379  -1.153  0.00  0.00    +0.043 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1        4.235  -1.809   0.956  0.00  0.00    +0.203 C 
BRANCH  26  27
ATOM     27  O   LIG    1        5.592  -1.384   1.093  0.00  0.00    -0.379 OA
ATOM     28  C   LIG    1        6.383  -2.366   1.748  0.00  0.00    +0.194 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 9