REMARK  Name = BDB015127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.314  -1.206   0.226  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        2.206  -0.956  -0.586  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        1.138  -1.862  -0.649  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1        1.185  -3.031   0.108  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        2.289  -3.290   0.922  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        3.347  -2.382   0.981  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        4.636   0.868  -0.287  0.00  0.00    +0.268 C 
ATOM      8  N   LIG    1        4.416  -0.343   0.339  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1        5.178  -0.612   0.959  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        3.894   1.433  -1.081  0.00  0.00    -0.268 OA
BRANCH   7  14
ATOM     11  C   LIG    1        8.906   1.328   1.958  0.00  0.00    +0.172 C 
ATOM     12  N   LIG    1        7.806   1.673   1.090  0.00  0.00    -0.274 N 
ATOM     13  N   LIG    1        6.755   0.837   0.988  0.00  0.00    -0.167 NA
ATOM     14  C   LIG    1        5.930   1.455   0.113  0.00  0.00    +0.147 A 
ATOM     15  C   LIG    1        6.485   2.685  -0.325  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1        7.691   2.793   0.324  0.00  0.00    +0.109 A 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  O   LIG    1        0.125  -1.480  -1.484  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.038  -2.297  -1.586  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.053  -2.038  -0.458  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.133  -2.971  -0.616  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -2.814  -3.833  -0.297  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.580  -0.582  -0.511  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.266  -0.126   0.723  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -3.574   1.317   0.650  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -4.775   1.675  -0.201  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.776   0.725  -0.476  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.894   1.092  -1.237  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.030   2.399  -1.703  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.050   3.347  -1.418  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.617  -0.702  -0.008  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -4.930   2.989  -0.668  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.505  -0.856   1.039  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 8