REMARK  Name = BDB012890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.906   1.797  -1.616  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        1.190   0.456  -1.800  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.312  -0.693  -1.617  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.055  -1.867  -2.266  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        2.521  -1.448  -2.300  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        2.434   0.064  -2.444  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.705   2.652  -2.005  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -2.258   2.625   0.060  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -1.862   3.807  -0.422  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -0.696   3.532  -1.026  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -0.175   4.289  -1.460  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -0.329   2.210  -0.991  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -1.332   1.601  -0.263  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -3.501   3.310   2.131  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -3.535   2.490   0.840  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -4.758   2.859  -0.002  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        0.777  -3.200  -1.753  0.00  0.00    -0.306 N 
ATOM     18  H   LIG    1        0.338  -3.836  -2.408  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        1.029  -3.851  -0.568  0.00  0.00    +0.263 C 
ATOM     20  O   LIG    1        0.698  -5.040  -0.512  0.00  0.00    -0.269 OA
BRANCH  19  21
ATOM     21  C   LIG    1        1.679  -3.225   0.629  0.00  0.00    +0.125 A 
ATOM     22  N   LIG    1        1.806  -1.879   0.681  0.00  0.00    -0.250 NA
ATOM     23  C   LIG    1        2.381  -1.350   1.784  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        2.835  -2.103   2.852  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        2.692  -3.483   2.789  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        2.103  -4.056   1.664  0.00  0.00    +0.033 A 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4