REMARK  Name = BDB042651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.150  -2.465   0.178  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1        3.470  -0.156   0.010  0.00  0.00    -0.327 N 
ATOM      3  C   LIG    1        2.245   0.439  -0.563  0.00  0.00    +0.120 C 
ATOM      4  C   LIG    1        1.169  -0.647  -0.800  0.00  0.00    +0.103 C 
ATOM      5  N   LIG    1        0.831  -1.399   0.432  0.00  0.00    -0.299 NA
ATOM      6  C   LIG    1        2.080  -1.980   0.983  0.00  0.00    +0.103 C 
ATOM      7  C   LIG    1        3.183  -0.927   1.244  0.00  0.00    +0.120 C 
BRANCH   2  11
ATOM      8  C   LIG    1        7.007   2.172   0.254  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        5.781   2.798   0.029  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        4.605   2.040  -0.053  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        4.618   0.646   0.097  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        5.868   0.038   0.309  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        7.050   0.786   0.391  0.00  0.00    +0.020 A 
BRANCH   8  15
ATOM     14  N   LIG    1        9.185   3.572   0.405  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        8.211   2.945   0.337  0.00  0.00    +0.099 C 
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -1.555  -1.957  -0.177  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.147  -1.046   0.905  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.543  -0.595   0.555  0.00  0.00    +0.021 A 
ATOM     19  N   LIG    1       -4.557  -1.519   0.683  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -4.348  -2.459   1.000  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -5.888  -1.272   0.417  0.00  0.00    +0.258 A 
ATOM     22  O   LIG    1       -6.748  -2.135   0.547  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -6.222   0.092  -0.036  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1       -5.199   1.026  -0.160  0.00  0.00    +0.078 A 
ATOM     25  N   LIG    1       -5.404   2.302  -0.568  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1       -6.680   2.647  -0.859  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -7.761   1.780  -0.762  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -7.527   0.473  -0.341  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1       -3.823   0.655   0.154  0.00  0.00    +0.049 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6