REMARK  Name = BDB015136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.705   0.326  -0.581  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        2.635  -0.574  -0.432  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.376  -0.317  -0.989  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        1.174   0.858  -1.710  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.221   1.766  -1.869  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.474   1.502  -1.310  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        6.939   0.732   1.367  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        5.684   0.998   0.801  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        5.025   0.043   0.008  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        5.667  -1.188  -0.208  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        6.924  -1.456   0.341  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        7.563  -0.497   1.126  0.00  0.00    +0.013 A 
BRANCH   7  16
ATOM     13  N   LIG    1        8.505   1.395   3.118  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        8.565   0.439   3.437  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        8.821   2.115   3.755  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1        7.578   1.790   2.193  0.00  0.00    +0.242 C 
ATOM     17  O   LIG    1        7.268   2.969   2.082  0.00  0.00    -0.270 OA
ENDBRANCH   7  16
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  O   LIG    1        0.441  -1.289  -0.755  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -0.871  -1.071  -1.297  0.00  0.00    +0.261 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.734  -2.273  -0.891  0.00  0.00    +0.166 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.145  -3.476  -1.416  0.00  0.00    -0.387 OA
ATOM     22  H   LIG    1       -0.193  -3.414  -1.206  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.176  -2.167  -1.425  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.913  -0.960  -1.007  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.180  -0.970   0.447  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.097   0.145   0.908  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.941   0.810   0.003  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -6.800   1.818   0.460  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -6.840   2.147   1.815  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.020   1.477   2.719  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.872   0.482  -1.466  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -5.155   0.478   2.270  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -5.191  -0.867  -1.735  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8