REMARK  Name = BDB055578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.085   0.987  -0.838  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1        0.205   0.702   0.174  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1        0.476   0.732   1.371  0.00  0.00    -0.272 OA
ATOM      4  C   LIG    1       -1.183   0.347  -0.445  0.00  0.00    +0.164 C 
ATOM      5  N   LIG    1       -0.844   0.541  -1.842  0.00  0.00    -0.278 N 
ATOM      6  H   LIG    1       -1.508   0.535  -2.602  0.00  0.00    +0.152 HD
ATOM      7  C   LIG    1        0.452   0.932  -2.038  0.00  0.00    +0.310 C 
ATOM      8  O   LIG    1        0.919   1.192  -3.135  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -2.318   1.322  -0.096  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -2.131   2.450   0.722  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -3.190   3.320   0.999  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.453   3.083   0.464  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.662   1.975  -0.350  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -3.606   1.105  -0.629  0.00  0.00    +0.006 A 
ENDBRANCH   4   9
BRANCH   4  15
ATOM     15  C   LIG    1       -1.521  -1.117  -0.119  0.00  0.00    -0.011 A 
ATOM     16  C   LIG    1       -1.466  -2.140  -1.084  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -1.774  -3.461  -0.748  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -2.138  -3.785   0.556  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -2.192  -2.791   1.528  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -1.885  -1.471   1.195  0.00  0.00    +0.006 A 
ENDBRANCH   4  15
BRANCH   1  21
ATOM     21  C   LIG    1        2.476   1.352  -0.660  0.00  0.00    +0.118 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.436   0.228  -1.062  0.00  0.00    +0.019 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.338  -1.043  -0.209  0.00  0.00    +0.001 C 
BRANCH  23  25
ATOM     24  C   LIG    1        5.100  -0.390   1.519  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        3.679  -0.873   1.273  0.00  0.00    -0.003 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 6