REMARK  Name = BDB001373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.553  -2.128   2.687  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.135  -1.144   2.104  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.661  -1.050   0.806  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.176   0.300   0.485  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1       -0.578   1.067   1.735  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -0.447   2.417   2.037  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -0.868   2.864   3.295  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.403   1.967   4.237  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.524   0.611   3.934  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.101   0.196   2.684  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.766   0.943  -0.770  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.162   1.049  -0.932  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.717   1.655  -2.061  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -1.889   2.183  -3.046  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -0.507   2.114  -2.898  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        0.049   1.506  -1.769  0.00  0.00    +0.008 A 
ENDBRANCH   4  11
BRANCH   3  17
ATOM     17  C   LIG    1       -0.763  -2.163  -0.127  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.087  -2.273  -0.848  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1       -3.257  -2.627  -0.161  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -4.475  -2.733  -0.836  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.537  -2.493  -2.207  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.382  -2.150  -2.904  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.163  -2.045  -2.231  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH   3  17
BRANCH   4  24
ATOM     24  O   LIG    1        1.252   0.398   0.559  0.00  0.00    -0.343 OA
BRANCH  24  25
ATOM     25  C   LIG    1        2.029  -0.635  -0.016  0.00  0.00    +0.198 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.480  -0.218   0.004  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        4.071   0.243   1.190  0.00  0.00    +0.051 A 
ATOM     28  C   LIG    1        5.414   0.602   1.210  0.00  0.00    +0.117 A 
ATOM     29  C   LIG    1        6.195   0.507   0.063  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1        5.620   0.044  -1.120  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        4.271  -0.321  -1.150  0.00  0.00    +0.006 A 
BRANCH  28  32
ATOM     32  O   LIG    1        5.936   1.046   2.389  0.00  0.00    -0.507 OA
ATOM     33  H   LIG    1        6.872   1.265   2.250  0.00  0.00    +0.292 HD
ENDBRANCH  28  32
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 7