REMARK  Name = BDB056163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.049  -1.197   1.034  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        0.940  -0.221   1.058  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.356  -0.864   1.604  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.781  -2.110   0.925  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.367  -3.046   0.937  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.698  -2.481   0.381  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.999   0.155   0.247  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        4.913   0.994  -0.009  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.606   0.555   0.251  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        3.342  -0.730   0.752  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        4.456  -1.551   1.005  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        5.765  -1.125   0.748  0.00  0.00    +0.015 A 
BRANCH   7  16
ATOM     13  C   LIG    1        9.019   2.413  -0.023  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        7.667   1.925   0.086  0.00  0.00    -0.314 N 
ATOM     15  H   LIG    1        6.993   2.511   0.558  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.404   0.573  -0.014  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        8.260  -0.267  -0.268  0.00  0.00    -0.270 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.262  -1.883  -0.447  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.562  -1.105  -0.503  0.00  0.00    -0.031 A 
ATOM     20  C   LIG    1       -2.660   0.064  -1.271  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -3.864   0.767  -1.321  0.00  0.00    +0.076 A 
ATOM     22  N   LIG    1       -3.953   1.911  -2.116  0.00  0.00    -0.280 N 
ATOM     23  H   LIG    1       -3.205   2.176  -2.742  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1       -5.090   2.675  -2.146  0.00  0.00    +0.258 C 
ATOM     25  C   LIG    1       -6.125   2.310  -1.071  0.00  0.00    +0.256 C 
ATOM     26  O   LIG    1       -6.204   0.939  -0.692  0.00  0.00    -0.478 OA
ATOM     27  C   LIG    1       -7.519   2.745  -1.507  0.00  0.00    +0.062 C 
ATOM     28  O   LIG    1       -5.193   3.622  -2.922  0.00  0.00    -0.271 OA
ATOM     29  C   LIG    1       -4.986   0.311  -0.618  0.00  0.00    +0.146 A 
ATOM     30  C   LIG    1       -4.912  -0.865   0.138  0.00  0.00    -0.007 A 
ATOM     31  C   LIG    1       -6.112  -1.385   0.877  0.00  0.00    +0.047 C 
ATOM     32  C   LIG    1       -3.696  -1.562   0.191  0.00  0.00    +0.012 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4