REMARK  Name = BDB012405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.032  -0.713   1.148  0.00  0.00    +0.074 A 
ATOM      2  N   LIG    1        0.117  -0.766   0.454  0.00  0.00    -0.166 NA
ATOM      3  N   LIG    1        1.067  -0.326   1.324  0.00  0.00    -0.182 N 
ATOM      4  C   LIG    1        0.530  -0.011   2.566  0.00  0.00    +0.217 A 
ATOM      5  C   LIG    1       -0.817  -0.257   2.471  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.440  -0.214   0.943  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        3.324   0.257   1.873  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        4.622   0.349   1.506  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        5.085   0.012   0.249  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        4.161  -0.445  -0.690  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        2.817  -0.581  -0.344  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.659  -0.817  -2.032  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        5.755  -1.321  -2.207  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        3.814  -0.503  -3.034  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        3.040   0.036  -2.786  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  17
ATOM     16  C   LIG    1       -2.243  -2.213  -0.528  0.00  0.00    +0.019 C 
ATOM     17  C   LIG    1       -2.350  -1.126   0.542  0.00  0.00    +0.066 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.990   0.160   0.040  0.00  0.00    -0.039 A 
ATOM     19  C   LIG    1       -2.528   0.823  -1.109  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.137   2.000  -1.550  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.217   2.532  -0.850  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.687   1.890   0.293  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.079   0.713   0.736  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   4  24
ATOM     24  O   LIG    1        1.242   0.437   3.603  0.00  0.00    -0.492 OA
ATOM     25  H   LIG    1        2.181   0.506   3.316  0.00  0.00    +0.294 HD
ENDBRANCH   4  24
TORSDOF 6