REMARK  Name = BDB007743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.878   1.539   0.394  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        3.884   3.424  -0.353  0.00  0.00    -0.267 OA
ATOM      3  C   LIG    1        3.227   2.389  -0.214  0.00  0.00    +0.279 C 
ATOM      4  N   LIG    1        1.934   2.533   0.226  0.00  0.00    -0.306 N 
ATOM      5  H   LIG    1        1.649   3.502   0.281  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        3.788   1.083  -0.505  0.00  0.00    +0.190 A 
ATOM      7  O   LIG    1        3.034  -0.059  -0.447  0.00  0.00    -0.450 OA
ATOM      8  C   LIG    1        3.839  -1.103  -0.778  0.00  0.00    +0.136 A 
ATOM      9  C   LIG    1        5.120  -0.654  -1.067  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        6.096  -1.595  -1.436  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        5.734  -2.949  -1.497  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.433  -3.362  -1.196  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        3.448  -2.439  -0.828  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        5.078   0.752  -0.891  0.00  0.00    +0.063 A 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1        0.213   1.177  -0.943  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.552   2.294  -1.421  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1       -0.827   2.085  -2.330  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -0.660  -0.098  -0.845  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.617  -0.164   0.278  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -2.653   0.887   0.186  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -3.795   0.724   1.171  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -4.032  -0.500   1.816  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -5.108  -0.624   2.705  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -5.962   0.455   2.933  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.742   1.665   2.280  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.091  -1.654   1.598  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -4.666   1.800   1.402  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.259  -1.490   0.321  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6