REMARK  Name = BDB003048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.511   0.161  -0.819  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.984   1.116  -1.806  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -1.255   2.277  -1.110  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1       -0.150   1.820  -0.264  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1        0.807   2.751   0.120  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1        0.731   3.946  -0.153  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -0.271   0.456   0.273  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1       -1.733  -0.012   0.426  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -4.239  -1.510  -0.256  0.00  0.00    +0.141 A 
ATOM     10  C   LIG    1       -3.412  -0.838  -1.188  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -3.562  -1.228  -2.531  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -4.433  -2.256  -2.917  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -5.191  -2.927  -1.965  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -5.093  -2.555  -0.631  0.00  0.00    +0.047 A 
BRANCH   9  15
ATOM     15  O   LIG    1       -4.247  -1.175   1.081  0.00  0.00    -0.490 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -5.134   0.253   2.776  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1       -5.147  -0.079   1.294  0.00  0.00    +0.226 C 
ENDBRANCH  15  17
ENDBRANCH   9  15
ENDBRANCH   1  10
BRANCH   5  18
ATOM     18  C   LIG    1        1.985   2.292   0.890  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        2.806   1.269   0.400  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        3.929   0.843   1.127  0.00  0.00    -0.017 A 
ATOM     21  C   LIG    1        4.211   1.485   2.346  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        3.407   2.526   2.821  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        2.296   2.937   2.089  0.00  0.00    +0.013 A 
BRANCH  20  24
ATOM     24  C   LIG    1        4.789  -0.239   0.624  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1        5.067  -1.368   1.414  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        5.882  -2.397   0.935  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        6.428  -2.307  -0.338  0.00  0.00    +0.117 A 
ATOM     28  C   LIG    1        6.173  -1.203  -1.143  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        5.356  -0.176  -0.661  0.00  0.00    +0.012 A 
BRANCH  27  30
ATOM     30  O   LIG    1        7.218  -3.332  -0.765  0.00  0.00    -0.507 OA
ATOM     31  H   LIG    1        7.532  -3.130  -1.662  0.00  0.00    +0.292 HD
ENDBRANCH  27  30
ENDBRANCH  20  24
ENDBRANCH   5  18
TORSDOF 6