REMARK  Name = BDB018904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.477   1.987   1.029  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.267   1.227   0.827  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -3.420   1.775   0.816  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.262   0.208  -0.095  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.040  -0.449  -0.223  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.121  -0.544   0.912  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -0.767  -1.115   0.583  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -0.581  -2.422   0.118  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        0.716  -2.911  -0.078  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.832  -2.104   0.148  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        1.672  -0.787   0.582  0.00  0.00    -0.017 A 
ATOM     12  O   LIG    1       -1.551  -3.332  -0.186  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1       -2.876  -2.903  -0.520  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1        0.370  -0.309   0.802  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -2.974  -1.538  -1.204  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1       -5.261  -0.086  -0.745  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.838   0.077   0.817  0.00  0.00    -0.009 A 
ATOM     18  C   LIG    1        3.320   0.993  -0.164  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        4.439   1.808   0.126  0.00  0.00    +0.072 A 
ATOM     20  N   LIG    1        4.946   2.695  -0.748  0.00  0.00    -0.255 NA
ATOM     21  C   LIG    1        4.360   2.807  -1.958  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        3.268   2.063  -2.351  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.049   1.692   1.366  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        4.592   0.798   2.332  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        2.746   1.149  -1.444  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        3.492  -0.005   2.058  0.00  0.00    +0.009 A 
ENDBRANCH  11  17
TORSDOF 1