REMARK  Name = BDB012959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.901   1.243   0.021  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1        1.469   0.777  -0.281  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.127   1.405  -1.555  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -0.148   1.732  -1.995  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -0.316   2.603  -2.846  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.276   2.109  -2.100  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        3.469   1.512  -1.374  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.256   1.018  -1.417  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -1.291  -0.319  -1.144  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1       -0.567  -1.006  -1.321  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -2.438  -0.740  -0.590  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1       -3.215   0.352  -0.588  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1       -2.525   1.470  -1.113  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -4.625   0.307  -0.083  0.00  0.00    +0.040 C 
ATOM     15  C   LIG    1       -4.750  -0.263   1.341  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -5.425  -1.617   1.174  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1       -6.373  -1.389   0.010  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1       -5.546  -0.559  -0.962  0.00  0.00    +0.010 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  21
ATOM     19  O   LIG    1        5.207   1.830   1.511  0.00  0.00    -0.276 OA
ATOM     20  C   LIG    1        4.835   0.668   1.422  0.00  0.00    +0.216 C 
ATOM     21  N   LIG    1        3.687   0.282   0.768  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1        3.554  -0.704   0.593  0.00  0.00    +0.149 HD
BRANCH  20  23
ATOM     23  C   LIG    1        5.657  -0.414   2.032  0.00  0.00    +0.075 C 
ATOM     24  C   LIG    1        5.080  -1.728   2.505  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1        5.962  -1.694   1.289  0.00  0.00    +0.013 C 
ENDBRANCH  20  23
ENDBRANCH   1  21
TORSDOF 4