REMARK  Name = BDB021019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.280   3.899   1.383  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -5.489   2.692   1.411  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -5.299   2.332   2.332  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.447   2.554   0.527  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.744   1.365   0.623  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.479   1.315  -0.112  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1       -1.877  -0.045  -0.154  0.00  0.00    +0.064 A 
ATOM      8  N   LIG    1       -2.517  -1.166   0.325  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -1.693  -2.251   0.159  0.00  0.00    +0.113 A 
ATOM     10  N   LIG    1       -0.545  -1.859  -0.363  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1       -3.835  -1.090   0.913  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -0.649  -0.508  -0.585  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1       -4.041   0.276   1.557  0.00  0.00    +0.131 C 
ATOM     14  O   LIG    1       -4.171   3.424  -0.294  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1        0.445   0.271  -1.137  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        1.755  -0.018  -0.716  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        2.844   0.726  -1.219  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        4.257   0.759  -1.047  0.00  0.00    +0.103 A 
ATOM     19  N   LIG    1        4.840   1.670  -1.838  0.00  0.00    -0.170 NA
ATOM     20  N   LIG    1        3.811   2.241  -2.486  0.00  0.00    -0.266 N 
ATOM     21  C   LIG    1        4.070   3.295  -3.437  0.00  0.00    +0.173 C 
ATOM     22  C   LIG    1        2.583   1.719  -2.163  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1        1.291   2.015  -2.618  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        0.230   1.272  -2.089  0.00  0.00    +0.012 A 
BRANCH  18  25
ATOM     25  C   LIG    1        5.053  -0.072  -0.147  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        6.401  -0.346  -0.231  0.00  0.00    +0.118 A 
ATOM     27  N   LIG    1        6.691  -1.143   0.833  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        7.978  -1.699   1.175  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        5.628  -1.400   1.620  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        4.632  -0.736   1.021  0.00  0.00    +0.144 A 
ENDBRANCH  18  25
ENDBRANCH  12  15
BRANCH   9  31
ATOM     31  C   LIG    1       -1.990  -3.686   0.504  0.00  0.00    +0.049 C 
ATOM     32  C   LIG    1       -3.290  -4.200  -0.107  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -1.918  -3.941   2.008  0.00  0.00    +0.015 C 
ENDBRANCH   9  31
TORSDOF 3