REMARK  Name = BDB027572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.169  -0.803   1.559  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.467   0.417   1.677  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.877   0.478   2.044  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.175   1.977   2.132  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.240   2.582   1.086  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.010   1.718   1.219  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.394  -1.877   1.756  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.270  -0.954   0.359  0.00  0.00    +0.076 A 
ATOM      9  C   LIG    1        3.295  -1.724  -0.315  0.00  0.00    +0.142 A 
ATOM     10  C   LIG    1        1.959  -1.659   0.086  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1        1.591  -0.829   1.150  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        2.556  -0.092   1.839  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        3.892  -0.147   1.436  0.00  0.00    +0.028 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.723  -0.445   0.383  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        5.599  -1.058  -0.109  0.00  0.00    -0.279 N 
ATOM     16  H   LIG    1        5.702  -1.707  -0.881  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.805   0.287   1.362  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        8.057  -1.045  -1.666  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        7.975  -0.775  -0.356  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
BRANCH   9  20
ATOM     20  O   LIG    1        3.767  -2.495  -1.355  0.00  0.00    -0.493 OA
ATOM     21  C   LIG    1        2.845  -3.402  -1.951  0.00  0.00    +0.277 C 
ENDBRANCH   9  20
ENDBRANCH   1  11
BRANCH   4  22
ATOM     22  N   LIG    1       -3.566   2.389   2.018  0.00  0.00    -0.309 N 
ATOM     23  H   LIG    1       -4.101   2.310   2.877  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.381   1.860   1.037  0.00  0.00    +0.216 A 
ATOM     25  N   LIG    1       -3.899   1.552  -0.172  0.00  0.00    -0.215 NA
ATOM     26  C   LIG    1       -4.742   1.042  -1.080  0.00  0.00    +0.076 A 
ATOM     27  C   LIG    1       -6.092   0.821  -0.803  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -6.960   0.281  -1.774  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1       -6.470  -0.043  -3.036  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.127   0.173  -3.325  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -6.486   1.170   0.476  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -4.280   0.710  -2.348  0.00  0.00    +0.028 A 
ATOM     33  N   LIG    1       -5.655   1.684   1.403  0.00  0.00    -0.222 NA
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 6