REMARK  Name = BDB049832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.478  -1.236  -1.160  0.00  0.00    -0.306 N 
ATOM      2  H   LIG    1        0.082  -0.699  -0.398  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        1.787  -0.938  -1.511  0.00  0.00    +0.280 C 
ATOM      4  O   LIG    1        2.208  -1.121  -2.650  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.589  -0.386  -0.427  0.00  0.00    +0.195 A 
ATOM      6  N   LIG    1        2.314  -0.497   0.917  0.00  0.00    -0.334 N 
ATOM      7  H   LIG    1        1.534  -1.002   1.310  0.00  0.00    +0.168 HD
ATOM      8  C   LIG    1        3.294   0.148   1.626  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        4.168   0.629   0.655  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1        5.311   1.347   1.058  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        5.520   1.551   2.434  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        4.623   1.053   3.382  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        3.486   0.336   2.997  0.00  0.00    +0.028 A 
ATOM     14  N   LIG    1        3.716   0.282  -0.605  0.00  0.00    -0.223 NA
BRANCH  10  15
ATOM     15  C   LIG    1        6.288   1.887   0.084  0.00  0.00    +0.244 C 
ATOM     16  O   LIG    1        7.276   2.513   0.451  0.00  0.00    -0.270 OA
ATOM     17  N   LIG    1        6.051   1.658  -1.240  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        5.242   1.119  -1.549  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        6.710   1.993  -1.926  0.00  0.00    +0.145 HD
ENDBRANCH  10  15
ENDBRANCH   3   5
BRANCH   1  23
ATOM     20  N   LIG    1       -2.330  -0.199  -0.666  0.00  0.00    -0.299 NA
ATOM     21  C   LIG    1       -2.361   0.168  -2.085  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -1.109  -0.336  -2.817  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -0.512  -1.599  -2.176  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1       -1.628  -2.436  -1.551  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -2.396  -1.653  -0.473  0.00  0.00    +0.086 C 
BRANCH  20  26
ATOM     26  C   LIG    1       -3.223   0.623   0.178  0.00  0.00    +0.056 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -5.553  -0.476  -0.307  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -4.696   0.779  -0.287  0.00  0.00    +0.015 C 
ENDBRANCH  26  28
BRANCH  26  29
ATOM     29  C   LIG    1       -3.150   0.274   1.685  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -1.760   0.473   2.282  0.00  0.00    +0.005 C 
ENDBRANCH  26  29
ENDBRANCH  20  26
ENDBRANCH   1  23
TORSDOF 6