REMARK  Name = BDB014445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.352  -1.966   0.359  0.00  0.00    +0.254 C 
ATOM      2  N   LIG    1        1.342  -0.852   1.171  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        2.243  -0.605   1.584  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.496  -2.189  -0.496  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        2.033  -3.854   1.823  0.00  0.00    +0.062 C 
ATOM      6  C   LIG    1        2.481  -2.971   0.660  0.00  0.00    +0.256 C 
BRANCH   6   7
ATOM      7  O   LIG    1        3.728  -2.388   1.048  0.00  0.00    -0.478 OA
BRANCH   7   8
ATOM      8  C   LIG    1        4.366  -1.733   0.016  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1        4.533  -0.345   0.118  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1        5.229   0.302  -0.926  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        5.394   1.692  -0.852  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        4.881   2.396   0.230  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        4.215   1.685   1.207  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        5.741  -0.435  -2.009  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        5.581  -1.817  -2.065  0.00  0.00    +0.004 A 
ATOM     16  N   LIG    1        4.029   0.347   1.169  0.00  0.00    -0.251 NA
ATOM     17  C   LIG    1        4.900  -2.471  -1.046  0.00  0.00    +0.048 A 
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   2  18
ATOM     18  C   LIG    1        0.406   0.241   0.951  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.031  -0.110   1.373  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.067  -0.281   2.803  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -1.899  -0.738   3.009  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.036   1.003   0.995  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.107   1.369  -0.429  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -3.073   2.462  -0.654  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -4.528   2.038  -0.654  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -4.892   0.704  -0.916  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.246   0.345  -0.945  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.234   1.306  -0.737  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.878   2.631  -0.496  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.830  -0.352  -1.104  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -5.532   2.997  -0.458  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -2.435   0.249  -1.329  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8