REMARK  Name = BDB045716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.894  -2.681   1.410  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1        1.080  -3.086   0.505  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.381  -2.227   1.679  0.00  0.00    +0.234 C 
ATOM      4  O   LIG    1       -0.634  -1.503   2.644  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.497  -2.778   0.763  0.00  0.00    +0.164 C 
ATOM      6  N   LIG    1       -2.612  -1.861   0.489  0.00  0.00    -0.287 N 
ATOM      7  C   LIG    1       -2.277  -0.530   0.185  0.00  0.00    +0.217 C 
ATOM      8  O   LIG    1       -1.147  -0.189  -0.149  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -3.450  -2.510  -0.517  0.00  0.00    +0.140 C 
ATOM     10  C   LIG    1       -2.546  -3.561  -1.200  0.00  0.00    +0.134 C 
ATOM     11  C   LIG    1       -1.151  -3.326  -0.615  0.00  0.00    +0.065 C 
BRANCH  10  12
ATOM     12  O   LIG    1       -2.955  -4.884  -0.853  0.00  0.00    -0.390 OA
ATOM     13  H   LIG    1       -3.830  -5.040  -1.249  0.00  0.00    +0.210 HD
ENDBRANCH  10  12
BRANCH   7  14
ATOM     14  C   LIG    1       -3.465   0.424   0.255  0.00  0.00    +0.102 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.144   1.874   0.698  0.00  0.00    -0.029 C 
ATOM     16  C   LIG    1       -2.321   2.626  -0.361  0.00  0.00    +0.011 C 
ATOM     17  C   LIG    1       -2.399   1.889   2.043  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -4.483   2.620   0.876  0.00  0.00    +0.011 C 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  C   LIG    1        2.041  -2.132   2.102  0.00  0.00    +0.139 C 
BRANCH  19  23
ATOM     20  C   LIG    1        4.035   0.784  -0.423  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        4.640  -0.448  -0.130  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.005  -1.390   0.688  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        2.749  -1.118   1.239  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        2.146   0.114   0.958  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        2.781   1.052   0.137  0.00  0.00    +0.012 A 
BRANCH  20  28
ATOM     26  C   LIG    1        2.970   3.347  -2.396  0.00  0.00    +0.069 C 
ATOM     27  C   LIG    1        4.316   2.811  -2.098  0.00  0.00    +0.084 A 
ATOM     28  C   LIG    1        4.697   1.752  -1.290  0.00  0.00    +0.158 A 
ATOM     29  O   LIG    1        6.064   1.651  -1.380  0.00  0.00    -0.442 OA
ATOM     30  C   LIG    1        6.422   2.656  -2.219  0.00  0.00    +0.308 A 
ATOM     31  N   LIG    1        5.430   3.379  -2.681  0.00  0.00    -0.221 NA
ENDBRANCH  20  28
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7