REMARK  Name = BDB012862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.257   1.742  -0.886  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.222   0.846  -0.688  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.129   1.196  -1.099  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.962  -0.061  -0.834  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.237  -0.681   0.362  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.228  -0.408   0.049  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.022   2.860  -1.346  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.621   0.553  -0.024  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        4.792   1.877  -0.103  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.579   2.339  -0.445  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.458   3.335  -0.600  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.608   1.374  -0.539  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.278   0.191  -0.296  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.330  -0.079   1.704  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.766  -0.361   0.310  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        6.873  -0.294  -0.744  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -3.362   0.202  -0.567  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1       -3.628   1.098  -0.176  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -4.303  -0.812  -0.597  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -3.995  -1.960  -0.924  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.726  -0.371  -0.179  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -6.896  -0.765  -1.108  0.00  0.00    +0.095 C 
ATOM     23  N   LIG    1       -7.719  -0.977   0.107  0.00  0.00    -0.314 NA
ATOM     24  H   LIG    1       -8.360  -1.768   0.052  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -6.469  -1.245   0.856  0.00  0.00    +0.095 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4