REMARK  Name = BDB007553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.297   1.405   0.234  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.240   1.596  -0.978  0.00  0.00    +0.281 C 
ATOM      3  N   LIG    1       -0.148   2.201  -1.580  0.00  0.00    -0.306 N 
ATOM      4  H   LIG    1       -0.237   2.374  -2.579  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.340   1.186  -1.930  0.00  0.00    +0.217 A 
ATOM      6  N   LIG    1       -3.413   0.565  -1.408  0.00  0.00    -0.209 NA
ATOM      7  C   LIG    1       -4.377   0.203  -2.262  0.00  0.00    +0.123 A 
ATOM      8  C   LIG    1       -4.266   0.446  -3.620  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1       -3.129   1.090  -4.056  0.00  0.00    +0.116 A 
ATOM     10  N   LIG    1       -2.142   1.482  -3.236  0.00  0.00    -0.232 NA
BRANCH   7  11
ATOM     11  N   LIG    1       -5.520  -0.483  -1.810  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1       -6.340   0.006  -2.163  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -5.615  -0.707  -0.356  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -7.077  -1.042  -0.005  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1       -7.182  -1.958   1.208  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1       -6.122  -1.689   2.115  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1       -4.844  -2.070   1.596  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1       -4.716  -1.860   0.089  0.00  0.00    +0.050 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        0.949   2.809  -0.842  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.792   1.792  -0.038  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.166   1.540   1.225  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        0.213   1.373   1.046  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        3.217   2.362   0.198  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.258   1.486   0.768  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.607   0.362  -0.112  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.670  -0.546   0.475  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        5.906  -0.573   1.862  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        6.870  -1.443   2.388  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.579  -2.300   1.546  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.334  -2.290   0.175  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.167   0.380   2.770  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        6.383  -1.420  -0.359  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        3.920   0.983   2.106  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8