REMARK  Name = BDB047181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.339  -1.653   1.148  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.352  -0.737   1.468  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        2.616  -1.169   1.906  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        2.842  -2.541   2.060  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.839  -3.457   1.749  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.594  -3.015   1.292  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -2.085  -3.035   0.112  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.999  -1.823   0.268  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1       -0.893  -1.120   0.709  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -0.929  -0.111   0.654  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -3.180  -0.995  -0.081  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -4.049  -1.453  -1.064  0.00  0.00    +0.126 A 
ATOM     13  N   LIG    1       -5.157  -0.782  -1.472  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1       -5.429   0.401  -0.855  0.00  0.00    +0.154 A 
ATOM     15  C   LIG    1       -4.622   0.924   0.156  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1       -3.486   0.213   0.549  0.00  0.00    +0.018 A 
BRANCH  14  17
ATOM     17  N   LIG    1       -6.591   1.125  -1.262  0.00  0.00    -0.222 N 
ATOM     18  N   LIG    1       -6.940   2.320  -0.705  0.00  0.00    -0.173 NA
ATOM     19  C   LIG    1       -8.059   2.667  -1.344  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1       -8.449   1.724  -2.308  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1       -7.490   0.744  -2.236  0.00  0.00    +0.116 A 
ENDBRANCH  14  17
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  C   LIG    1        3.698  -0.174   2.259  0.00  0.00    +0.093 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.901   0.905   1.202  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1        4.642   0.594  -0.048  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        4.787   1.625  -0.974  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1        5.471   1.415  -2.178  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        6.013   0.161  -2.456  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.870  -0.876  -1.535  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        4.211   2.945  -0.675  0.00  0.00    +0.272 A 
ATOM     30  O   LIG    1        4.315   3.883  -1.458  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1        3.553   3.060   0.524  0.00  0.00    -0.242 N 
ATOM     32  H   LIG    1        3.158   3.968   0.751  0.00  0.00    +0.192 HD
ATOM     33  C   LIG    1        5.188  -0.664  -0.333  0.00  0.00    +0.010 A 
ATOM     34  N   LIG    1        3.393   2.078   1.450  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 5