REMARK  Name = BDB058804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.064  -0.046   2.187  0.00  0.00    +0.110 A 
ATOM      2  N   LIG    1        2.034  -0.737   1.488  0.00  0.00    -0.239 N 
ATOM      3  N   LIG    1        2.880  -1.367   2.331  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1        2.458  -1.161   3.565  0.00  0.00    -0.134 NA
ATOM      5  C   LIG    1        1.349  -0.364   3.508  0.00  0.00    +0.089 A 
ATOM      6  C   LIG    1        0.655   0.018   4.756  0.00  0.00    +0.070 C 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -1.526   1.051  -0.070  0.00  0.00    +0.221 A 
ATOM      8  N   LIG    1       -0.546   0.308   0.491  0.00  0.00    -0.211 NA
ATOM      9  C   LIG    1        0.036   0.801   1.604  0.00  0.00    +0.094 A 
ATOM     10  C   LIG    1       -0.316   2.025   2.163  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -1.315   2.780   1.553  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.932   2.288   0.410  0.00  0.00    +0.068 A 
BRANCH   7  13
ATOM     13  O   LIG    1       -2.070   0.542  -1.231  0.00  0.00    -0.438 OA
BRANCH  13  17
ATOM     14  C   LIG    1       -5.924  -1.592   1.032  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -5.316  -0.850  -0.122  0.00  0.00    -0.047 A 
ATOM     16  C   LIG    1       -3.955  -0.522  -0.114  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1       -3.404   0.208  -1.171  0.00  0.00    +0.131 A 
ATOM     18  C   LIG    1       -4.197   0.584  -2.256  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -5.559   0.264  -2.279  0.00  0.00    -0.047 A 
ATOM     20  C   LIG    1       -6.426   0.711  -3.419  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -6.114  -0.433  -1.197  0.00  0.00    +0.007 A 
ENDBRANCH  13  17
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   2  22
ATOM     22  C   LIG    1        2.272  -0.789   0.047  0.00  0.00    +0.113 C 
ATOM     23  C   LIG    1        2.837   0.548  -0.457  0.00  0.00    +0.046 C 
ATOM     24  C   LIG    1        3.701   0.342  -1.691  0.00  0.00    +0.110 C 
ATOM     25  N   LIG    1        4.873  -0.482  -1.355  0.00  0.00    -0.304 N 
ATOM     26  C   LIG    1        4.616  -1.617  -0.449  0.00  0.00    +0.110 C 
ATOM     27  C   LIG    1        3.137  -1.983  -0.405  0.00  0.00    +0.046 C 
BRANCH  25  28
ATOM     28  C   LIG    1        6.125   0.068  -1.463  0.00  0.00    +0.173 C 
ATOM     29  N   LIG    1        6.349   1.295  -1.785  0.00  0.00    -0.273 NA
ATOM     30  H   LIG    1        7.351   1.476  -1.771  0.00  0.00    +0.189 HD
BRANCH  28  31
ATOM     31  N   LIG    1        7.153  -0.775  -1.223  0.00  0.00    -0.331 N 
ATOM     32  H   LIG    1        6.988  -1.702  -1.593  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1        8.057  -0.435  -1.520  0.00  0.00    +0.145 HD
ENDBRANCH  28  31
ENDBRANCH  25  28
ENDBRANCH   2  22
TORSDOF 6