REMARK  Name = BDB062454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.451  -0.966   1.298  0.00  0.00    -0.042 A 
ATOM      2  C   LIG    1       -1.503  -1.054   0.366  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.827  -1.243   0.786  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1       -3.091  -1.387   2.156  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -2.057  -1.302   3.088  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.748  -1.086   2.662  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.017   0.753   0.816  0.00  0.00    +0.076 C 
ATOM      8  C   LIG    1        1.591   0.540   1.357  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        0.972  -0.758   0.808  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1        1.864  -1.968   1.128  0.00  0.00    +0.008 C 
ATOM     11  C   LIG    1        3.291  -1.759   0.625  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1        3.893  -0.461   1.157  0.00  0.00    +0.013 C 
BRANCH   7  15
ATOM     13  C   LIG    1        5.336   3.769   1.325  0.00  0.00    +0.131 C 
ATOM     14  N   LIG    1        4.780   2.541   0.777  0.00  0.00    -0.307 N 
ATOM     15  C   LIG    1        3.639   2.029   1.395  0.00  0.00    +0.218 C 
ATOM     16  O   LIG    1        3.161   2.555   2.403  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        5.170   2.236  -0.592  0.00  0.00    +0.131 C 
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  N   LIG    1       -3.908  -1.332  -0.141  0.00  0.00    -0.236 N 
ATOM     19  C   LIG    1       -3.974  -0.966  -1.481  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1       -5.155  -1.487  -1.986  0.00  0.00    +0.100 A 
ATOM     21  C   LIG    1       -5.810  -1.988  -0.845  0.00  0.00    +0.150 A 
ATOM     22  N   LIG    1       -5.098  -1.853   0.270  0.00  0.00    -0.174 NA
BRANCH  19  23
ATOM     23  C   LIG    1       -2.968  -0.093  -2.296  0.00  0.00    +0.039 C 
ATOM     24  C   LIG    1       -3.467   1.191  -2.917  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -2.532   1.246  -1.752  0.00  0.00    +0.010 C 
ENDBRANCH  19  23
BRANCH  20  26
ATOM     26  C   LIG    1       -5.680  -1.506  -3.330  0.00  0.00    +0.340 C 
ATOM     27  O   LIG    1       -6.826  -1.815  -3.627  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -4.801  -1.196  -4.306  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1       -5.337  -1.281  -5.121  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH   3  18
TORSDOF 6