REMARK  Name = BDB012804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.602   1.234   0.301  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.833   0.302  -0.374  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.582   0.557  -0.603  0.00  0.00    +0.121 C 
ATOM      4  C   LIG    1        1.121  -0.736  -1.202  0.00  0.00    +0.094 C 
ATOM      5  C   LIG    1       -0.089  -1.239  -1.994  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1       -1.266  -0.881  -1.097  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -1.091   2.287   0.688  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -5.113   0.341   0.899  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -5.097   1.653   1.156  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -3.817   2.005   0.961  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -3.541   2.969   1.121  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -3.001   0.982   0.549  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.827  -0.124   0.527  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.452   0.015   0.047  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.377  -0.461   1.025  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -6.912  -0.460   2.458  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  C   LIG    1        2.343  -0.484  -2.060  0.00  0.00    +0.218 C 
ATOM     18  N   LIG    1        3.524  -0.186  -1.444  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        4.288  -0.089  -2.104  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        2.310  -0.521  -3.289  0.00  0.00    -0.275 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.874  -0.477  -0.072  0.00  0.00    +0.142 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.245   0.021   0.182  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        6.449  -0.587  -0.114  0.00  0.00    +0.113 A 
ATOM     24  N   LIG    1        7.426   0.264   0.316  0.00  0.00    -0.274 N 
ATOM     25  C   LIG    1        8.853   0.071   0.224  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1        6.944   1.385   0.878  0.00  0.00    -0.180 NA
ATOM     27  C   LIG    1        5.620   1.240   0.791  0.00  0.00    +0.139 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   4  17
TORSDOF 5