REMARK  Name = BDB031794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.790  -0.101  -0.594  0.00  0.00    +0.154 A 
ATOM      2  C   LIG    1       -0.724  -0.677   0.172  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.321  -0.844  -0.726  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.561  -1.387  -0.371  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        1.774  -1.765   0.969  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1        0.714  -1.616   1.880  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1       -0.160  -0.377  -1.916  0.00  0.00    -0.275 N 
ATOM      8  H   LIG    1        0.322  -0.340  -2.806  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -0.527  -1.077   1.507  0.00  0.00    +0.014 A 
ATOM     10  N   LIG    1       -1.413   0.089  -1.861  0.00  0.00    -0.157 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        3.101  -2.350   1.396  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1        4.392  -1.559   1.333  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1        4.537  -0.142   0.854  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1        5.752  -0.049   0.157  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        6.211   1.115  -0.424  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        5.409   2.249  -0.296  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        4.191   2.190   0.404  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1        6.392  -1.290   0.168  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1        7.288  -1.492  -0.248  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        3.753   0.995   0.987  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        5.657  -2.237   0.858  0.00  0.00    +0.228 C 
ATOM     22  O   LIG    1        5.950  -3.404   1.057  0.00  0.00    -0.274 OA
ATOM     23  C   LIG    1        3.783  -1.883   2.667  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  24
ATOM     24  N   LIG    1       -2.980   0.205  -0.029  0.00  0.00    -0.279 N 
ATOM     25  H   LIG    1       -3.138  -0.035   0.942  0.00  0.00    +0.155 HD
BRANCH  24  27
ATOM     26  C   LIG    1       -5.245   0.974   0.229  0.00  0.00    +0.178 A 
ATOM     27  C   LIG    1       -4.205   0.596  -0.626  0.00  0.00    +0.170 A 
ATOM     28  N   LIG    1       -4.347   0.636  -1.965  0.00  0.00    -0.214 NA
ATOM     29  C   LIG    1       -5.523   1.043  -2.466  0.00  0.00    +0.128 A 
ATOM     30  C   LIG    1       -5.651   1.115  -3.954  0.00  0.00    +0.088 C 
ATOM     31  N   LIG    1       -6.577   1.429  -1.726  0.00  0.00    -0.237 NA
ATOM     32  C   LIG    1       -6.409   1.381  -0.390  0.00  0.00    +0.162 A 
BRANCH  26  34
ATOM     33  C   LIG    1       -6.063   1.353   2.426  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -5.019   0.890   1.577  0.00  0.00    -0.490 OA
ENDBRANCH  26  34
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 4