REMARK  Name = BDB002985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.803   0.101   1.497  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -5.148  -0.015   0.271  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -3.728  -0.011   0.181  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.982   0.144   1.364  0.00  0.00    +0.074 A 
ATOM      5  N   LIG    1       -1.645   0.206   1.386  0.00  0.00    -0.247 NA
ATOM      6  C   LIG    1       -0.961   0.173   0.234  0.00  0.00    +0.075 A 
ATOM      7  C   LIG    1       -1.581   0.019  -1.017  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1       -0.762   0.052  -2.169  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.624   0.192  -2.071  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        1.249   0.282  -0.828  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        0.424   0.308   0.301  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -3.649   0.248   2.574  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -2.994  -0.157  -1.030  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1       -5.042   0.223   2.652  0.00  0.00    +0.048 A 
ENDROOT
BRANCH  13  15
ATOM     15  N   LIG    1       -3.684  -0.287  -2.269  0.00  0.00    -0.357 N 
ATOM     16  H   LIG    1       -4.564  -0.783  -2.181  0.00  0.00    +0.142 HD
ATOM     17  H   LIG    1       -3.118  -0.717  -2.993  0.00  0.00    +0.142 HD
ENDBRANCH  13  15
BRANCH  10  18
ATOM     18  N   LIG    1        2.630   0.484  -0.788  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1        3.108   0.088  -1.594  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.362   0.271   0.453  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.844   0.370   0.178  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        5.430   1.611  -0.102  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        6.798   1.703  -0.368  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        7.604   0.562  -0.363  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        7.025  -0.678  -0.093  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        5.654  -0.773   0.173  0.00  0.00    +0.009 A 
BRANCH  24  27
ATOM     27  O   LIG    1        8.923   0.793  -0.638  0.00  0.00    -0.495 OA
ATOM     28  C   LIG    1        9.788  -0.336  -0.632  0.00  0.00    +0.277 C 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  10  18
BRANCH   1  29
ATOM     29  O   LIG    1       -7.154   0.107   1.697  0.00  0.00    -0.492 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -9.433   0.133   1.002  0.00  0.00    +0.048 C 
ATOM     31  C   LIG    1       -7.988   0.069   0.540  0.00  0.00    +0.225 C 
ENDBRANCH  29  31
ENDBRANCH   1  29
TORSDOF 7