REMARK  Name = BDB045210
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.107  -1.740   0.547  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1        1.126  -1.132  -0.201  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        1.950  -1.795  -1.057  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        1.779  -3.149  -1.204  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.790  -3.808  -0.496  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.044  -3.087   0.380  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.971  -1.062  -1.815  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        3.522   0.128  -1.217  0.00  0.00    -0.305 N 
ATOM      9  H   LIG    1        4.264   0.257  -2.351  0.00  0.00    +0.150 HD
ATOM     10  O   LIG    1        3.257  -1.562  -2.928  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.019   1.202  -0.676  0.00  0.00    +0.100 C 
ATOM     12  C   LIG    1        3.537   1.619   0.717  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  C   LIG    1        5.551   1.121  -0.491  0.00  0.00    -0.027 A 
ATOM     14  C   LIG    1        6.367   1.332  -1.574  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        7.756   1.295  -1.434  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        8.320   1.045  -0.208  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.503   0.832   0.878  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.135   0.876   0.704  0.00  0.00    +0.005 A 
ENDBRANCH  11  13
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -0.664  -0.924   1.445  0.00  0.00    +0.151 C 
BRANCH  19  26
ATOM     20  C   LIG    1       -4.748  -0.003   0.289  0.00  0.00    +0.042 C 
ATOM     21  N   LIG    1       -3.661   0.843  -0.100  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1       -3.884   1.715  -0.604  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -2.312   0.518   0.194  0.00  0.00    +0.182 C 
ATOM     24  N   LIG    1       -1.409   1.199  -0.382  0.00  0.00    -0.272 NA
ATOM     25  H   LIG    1       -1.581   1.965  -1.035  0.00  0.00    +0.189 HD
ATOM     26  N   LIG    1       -2.000  -0.553   1.108  0.00  0.00    -0.240 N 
ATOM     27  C   LIG    1       -3.147  -1.206   1.647  0.00  0.00    +0.224 C 
ATOM     28  O   LIG    1       -3.041  -2.383   2.063  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1       -4.480  -0.484   1.719  0.00  0.00    +0.122 C 
ATOM     30  C   LIG    1       -4.867  -1.258  -0.543  0.00  0.00    +0.032 C 
BRANCH  20  32
ATOM     31  C   LIG    1       -6.446   1.173  -1.112  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1       -6.051   0.767   0.297  0.00  0.00    +0.006 C 
ATOM     33  C   LIG    1       -5.970   1.978   1.171  0.00  0.00    +0.009 C 
ENDBRANCH  20  32
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 6