REMARK  Name = BDB052414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.734  -1.267  -1.020  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -0.172  -0.362  -0.619  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.452  -0.628  -0.925  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -2.483   0.280  -0.453  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1       -2.391   1.528   0.086  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1       -1.200   2.301   0.348  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1       -3.592   2.072   0.370  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1       -4.497   1.135   0.030  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1       -3.836  -0.008  -0.499  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.335  -1.310  -1.028  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.323  -1.944  -2.013  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1       -1.877  -1.747  -1.627  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1       -0.872  -2.595  -2.008  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        0.422  -2.387  -1.700  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -5.938   1.359   0.228  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -6.495   2.452   0.173  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -6.674   0.241   0.533  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -6.207  -0.546   0.959  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -7.611   0.447   0.856  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1        2.087  -1.148  -0.712  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        2.565  -1.974  -1.047  0.00  0.00    +0.155 HD
BRANCH  20  24
ATOM     22  C   LIG    1        5.004   0.617   0.746  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        4.171  -0.389   0.234  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        2.889  -0.095  -0.262  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        2.455   1.232  -0.208  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        3.275   2.245   0.296  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.547   1.938   0.771  0.00  0.00    +0.011 A 
BRANCH  22  29
ATOM     28  C   LIG    1        6.866  -1.094   1.285  0.00  0.00    +0.091 C 
ATOM     29  C   LIG    1        6.371   0.329   1.274  0.00  0.00    +0.160 C 
ATOM     30  O   LIG    1        7.075   1.248   1.689  0.00  0.00    -0.292 OA
ENDBRANCH  22  29
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4