REMARK  Name = BDB012915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.044  -0.357  -1.047  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.027  -0.190  -0.187  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.384  -0.432  -0.660  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.271  -0.237   0.576  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.485   0.791   1.385  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.039   0.371   1.153  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.848  -0.633  -2.231  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.382   0.019   0.433  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        4.630   0.126  -0.876  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.427  -0.037  -1.448  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.357  -0.033  -2.461  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.392  -0.188  -0.561  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.001  -0.186   0.678  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.177   1.476   1.414  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.488   0.110   1.445  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        6.511  -1.014   1.272  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -3.615   0.200   0.274  0.00  0.00    -0.309 N 
ATOM     18  H   LIG    1       -3.813   1.185   0.124  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -4.546  -0.674  -0.238  0.00  0.00    +0.245 C 
ATOM     20  O   LIG    1       -4.379  -1.883  -0.336  0.00  0.00    -0.273 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.803  -0.002  -0.710  0.00  0.00    +0.142 C 
ATOM     22  C   LIG    1       -6.210  -0.120  -2.155  0.00  0.00    +0.047 C 
ATOM     23  C   LIG    1       -7.024  -0.797  -1.089  0.00  0.00    +0.047 C 
BRANCH  21  24
ATOM     24  O   LIG    1       -6.072   1.288  -0.110  0.00  0.00    -0.379 OA
ATOM     25  H   LIG    1       -6.433   1.165   0.786  0.00  0.00    +0.211 HD
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 5