REMARK  Name = BDB005574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.957  -1.465  -0.276  0.00  0.00    +0.123 A 
ATOM      2  C   LIG    1       -0.586  -0.287   0.368  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        0.765   0.080   0.429  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.769  -0.704  -0.161  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        3.176  -0.246  -0.072  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1        4.175  -0.964  -0.727  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1        3.844  -1.442  -1.561  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        5.513  -0.405  -0.886  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1        5.921   0.306   0.398  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        4.881   1.361   0.789  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        3.467   0.867   0.632  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        2.399   1.681   1.272  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        2.652   2.704   1.901  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        1.382  -1.894  -0.789  0.00  0.00    +0.015 A 
ATOM     15  N   LIG    1        1.113   1.249   1.113  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        0.404   1.817   1.556  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        0.033  -2.264  -0.850  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  18
ATOM     18  O   LIG    1       -2.228  -1.947  -0.422  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -3.296  -1.285   0.264  0.00  0.00    +0.244 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.890  -0.161  -0.603  0.00  0.00    +0.124 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -6.091  -0.065   0.436  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -4.875   0.681   0.103  0.00  0.00    -0.305 NA
ATOM     23  C   LIG    1       -5.221   1.842  -0.724  0.00  0.00    +0.104 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 4