REMARK  Name = BDB048317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.583   3.581  -2.985  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.122   3.276  -2.783  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.799   2.117  -2.087  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.360   1.807  -1.995  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.104   0.781  -0.950  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.889   0.275  -0.419  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.141  -0.662   0.502  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.480  -0.740   0.585  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.101   0.092  -0.294  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.552   0.288  -0.521  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.750   1.003  -1.875  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.263   4.044  -3.218  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -3.088  -1.645   1.528  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -2.848  -3.111   1.223  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -3.088  -3.820   2.453  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -3.035  -2.874   3.533  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -2.584  -1.548   2.955  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.321   0.724  -0.836  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1        0.328   1.475  -1.515  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.636   0.352  -0.477  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        1.940  -0.671   0.425  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        3.268  -0.994   0.741  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        4.334  -0.296   0.165  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1        4.041   0.729  -0.740  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        2.712   1.046  -1.054  0.00  0.00    +0.024 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.704  -0.645   0.498  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        6.779   0.221   0.473  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        7.867  -0.503   0.868  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        9.222  -0.030   1.005  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        7.583  -1.786   1.153  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.268  -1.869   0.931  0.00  0.00    +0.142 A 
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4