REMARK  Name = BDB003013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.254  -2.907  -1.415  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -0.656  -2.082  -0.588  0.00  0.00    +0.045 C 
ATOM      3  C   LIG    1       -2.091  -2.370  -0.524  0.00  0.00    +0.336 C 
ATOM      4  O   LIG    1       -2.656  -3.255  -1.141  0.00  0.00    -0.245 OA
ATOM      5  O   LIG    1       -2.696  -1.487   0.312  0.00  0.00    -0.450 OA
ATOM      6  C   LIG    1       -1.710  -0.621   0.911  0.00  0.00    +0.144 C 
ATOM      7  C   LIG    1       -2.101   0.832   0.594  0.00  0.00    +0.053 C 
ATOM      8  C   LIG    1       -3.415   1.238   1.267  0.00  0.00    +0.007 C 
ATOM      9  C   LIG    1       -3.427   0.973   2.778  0.00  0.00    -0.014 C 
ATOM     10  C   LIG    1       -2.535   1.963   3.533  0.00  0.00    +0.007 C 
ATOM     11  C   LIG    1       -3.042  -0.482   3.078  0.00  0.00    +0.007 C 
ATOM     12  C   LIG    1       -1.720  -0.899   2.425  0.00  0.00    +0.053 C 
ATOM     13  C   LIG    1       -0.457  -1.042   0.225  0.00  0.00    +0.067 C 
ENDROOT
BRANCH  13  14
ATOM     14  C   LIG    1        0.822  -0.352   0.469  0.00  0.00    +0.245 C 
ATOM     15  N   LIG    1        1.560  -0.115  -0.651  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1        1.228  -0.344  -1.582  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        1.140   0.030   1.587  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.815   0.603  -0.608  0.00  0.00    +0.160 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.446   0.691  -1.980  0.00  0.00    +0.058 A 
ATOM     20  N   LIG    1        2.741   0.193  -3.036  0.00  0.00    -0.258 NA
ATOM     21  C   LIG    1        3.312   0.284  -4.258  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        4.554   0.848  -4.488  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.259   1.353  -3.401  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        4.701   1.277  -2.128  0.00  0.00    +0.025 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  13  14
TORSDOF 3