REMARK  Name = BDB004564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.415  -2.434  -0.308  0.00  0.00    -0.324 N 
ATOM      2  H   LIG    1       -2.614  -1.847  -1.114  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.474  -1.644   0.858  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -3.615  -0.844   1.093  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -3.618  -0.076   2.275  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1       -4.740   0.744   2.518  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1       -5.826   0.788   1.622  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -5.821   0.016   0.472  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -2.578  -0.144   3.135  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -1.566  -0.964   2.831  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1       -4.725  -0.795   0.211  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1       -1.463  -1.714   1.737  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1       -4.873   1.617   3.728  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1       -5.875   2.298   3.923  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1       -3.847   1.647   4.625  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1       -3.029   1.059   4.499  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -3.943   2.209   5.459  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -1.207  -3.221  -0.535  0.00  0.00    +0.138 C 
BRANCH  18  21
ATOM     19  C   LIG    1        1.560  -0.884  -1.776  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        0.701  -1.603  -0.934  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -0.261  -2.483  -1.455  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1       -0.358  -2.633  -2.844  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        0.500  -1.930  -3.688  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        1.456  -1.062  -3.156  0.00  0.00    +0.023 A 
BRANCH  19  28
ATOM     25  N   LIG    1        4.177   1.460  -0.847  0.00  0.00    -0.297 N 
ATOM     26  H   LIG    1        4.423   0.864  -0.070  0.00  0.00    +0.151 HD
ATOM     27  C   LIG    1        3.333   0.879  -1.777  0.00  0.00    +0.304 C 
ATOM     28  N   LIG    1        2.498  -0.030  -1.164  0.00  0.00    -0.269 N 
ATOM     29  H   LIG    1        2.451   0.043  -0.159  0.00  0.00    +0.156 HD
ATOM     30  O   LIG    1        3.352   1.176  -2.963  0.00  0.00    -0.253 OA
BRANCH  25  32
ATOM     31  C   LIG    1        5.610   3.278  -0.073  0.00  0.00    +0.027 C 
ATOM     32  C   LIG    1        5.194   2.419  -1.263  0.00  0.00    +0.068 C 
ATOM     33  C   LIG    1        6.404   1.706  -1.863  0.00  0.00    +0.027 C 
ENDBRANCH  25  32
ENDBRANCH  19  28
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 6