REMARK  Name = BDB054280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.450  -0.125  -0.264  0.00  0.00    -0.422 OA
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -6.719  -0.990   0.776  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -6.008  -0.718  -0.398  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -4.614  -0.561  -0.367  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -3.930  -0.675   0.869  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -2.537  -0.517   0.902  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -1.843  -0.235  -0.274  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1       -2.499  -0.141  -1.497  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -4.659  -0.945   2.039  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -3.884  -0.298  -1.540  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -6.047  -1.101   1.995  0.00  0.00    +0.012 A 
BRANCH   2  14
ATOM     12  N   LIG    1       -8.848  -1.970   1.466  0.00  0.00    -0.285 NA
ATOM     13  H   LIG    1       -8.209  -2.528   2.040  0.00  0.00    +0.188 HD
ATOM     14  C   LIG    1       -8.197  -1.138   0.718  0.00  0.00    +0.116 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -8.928  -0.374  -0.142  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -9.917  -0.424   0.086  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -8.608   0.580  -0.263  0.00  0.00    +0.144 HD
ENDBRANCH  14  15
ENDBRANCH   2  14
ENDBRANCH   1   7
BRANCH   1  18
ATOM     18  C   LIG    1        0.020   1.046   0.301  0.00  0.00    +0.344 C 
ATOM     19  O   LIG    1       -0.643   1.960   0.768  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  C   LIG    1        1.509   1.061   0.264  0.00  0.00    +0.060 A 
ATOM     21  C   LIG    1        2.268  -0.004  -0.230  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        3.668   0.069  -0.237  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        4.343   1.203   0.228  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        3.568   2.253   0.745  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        2.170   2.191   0.757  0.00  0.00    +0.017 A 
BRANCH  23  26
ATOM     26  N   LIG    1        5.746   1.309   0.286  0.00  0.00    -0.288 N 
ATOM     27  H   LIG    1        6.072   2.243   0.491  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1        6.679   0.531  -0.325  0.00  0.00    +0.180 C 
ATOM     29  N   LIG    1        7.961   0.926  -0.050  0.00  0.00    -0.315 N 
ATOM     30  H   LIG    1        8.113   1.175   0.920  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        8.847  -0.112  -0.539  0.00  0.00    +0.127 C 
ATOM     32  C   LIG    1        7.921  -0.895  -1.467  0.00  0.00    +0.163 C 
ATOM     33  N   LIG    1        6.537  -0.508  -1.093  0.00  0.00    -0.254 NA
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7