REMARK  Name = BDB047179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.854   0.017  -1.148  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.597   0.290  -1.713  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.460  -0.633  -1.641  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.231  -1.867  -1.024  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.011  -2.149  -0.460  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.047  -1.211  -0.517  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.128   1.114  -0.851  0.00  0.00    +0.405 C 
ATOM      8  N   LIG    1       -2.829   1.024  -1.274  0.00  0.00    -0.251 N 
ATOM      9  H   LIG    1       -2.559   1.863  -1.768  0.00  0.00    +0.158 HD
ATOM     10  O   LIG    1       -4.779   2.127  -1.093  0.00  0.00    -0.226 OA
BRANCH   7  11
ATOM     11  O   LIG    1       -4.603   0.044  -0.171  0.00  0.00    -0.450 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -6.030   0.815   1.627  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1       -5.965   0.130   0.274  0.00  0.00    +0.230 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  14
ATOM     14  C   LIG    1        1.795  -0.312  -2.274  0.00  0.00    +0.093 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.993  -0.668  -1.403  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        3.345   0.182  -0.236  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        4.448  -0.207   0.523  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1        4.846   0.539   1.639  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1        4.133   1.682   1.998  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.029   2.077   1.244  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.196  -1.414   0.139  0.00  0.00    +0.272 A 
ATOM     22  O   LIG    1        6.172  -1.792   0.776  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1        4.737  -2.081  -0.970  0.00  0.00    -0.242 N 
ATOM     24  H   LIG    1        5.242  -2.916  -1.251  0.00  0.00    +0.192 HD
ATOM     25  C   LIG    1        2.634   1.331   0.128  0.00  0.00    +0.010 A 
ATOM     26  N   LIG    1        3.666  -1.733  -1.731  0.00  0.00    -0.175 NA
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 5