REMARK  Name = BDB012970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.860  -1.581   0.291  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.005  -0.502   0.277  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.429  -0.711   0.500  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.041   0.696   0.488  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.101   1.455  -0.446  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.264   0.877  -0.096  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.418  -2.725   0.404  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.434  -0.787   0.023  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        4.403  -2.090  -0.277  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.107  -2.418  -0.156  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        2.828  -3.383  -0.301  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.280  -1.367   0.151  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.135  -0.294   0.306  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.073   0.488   1.429  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.742  -0.047   0.034  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        5.754   1.088  -0.992  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -3.421   0.734   0.047  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -3.625   0.895  -0.931  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -4.438   0.330   0.887  0.00  0.00    +0.233 C 
ATOM     20  O   LIG    1       -4.269  -0.010   2.050  0.00  0.00    -0.274 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.797   0.309   0.272  0.00  0.00    +0.133 C 
ATOM     22  C   LIG    1       -6.050  -0.616  -0.912  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -6.635  -0.954   0.425  0.00  0.00    +0.033 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -6.494   1.570   0.302  0.00  0.00    +0.079 C 
ATOM     25  N   LIG    1       -7.058   2.584   0.283  0.00  0.00    -0.195 NA
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 5