REMARK  Name = BDB039437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.129   0.647   0.186  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -0.993  -0.125  -0.191  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -2.265   0.415  -0.084  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -3.588  -0.196  -0.400  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -4.513   0.903  -0.147  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.874   2.005   0.403  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.376   3.034   0.813  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.438   1.708   0.399  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.381   2.501   0.793  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.095   1.960   0.684  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1        2.211  -4.077   0.855  0.00  0.00    +0.150 C 
ATOM     12  N   LIG    1        3.158  -3.056   0.477  0.00  0.00    -0.335 N 
ATOM     13  C   LIG    1        2.826  -1.746   0.236  0.00  0.00    +0.143 A 
ATOM     14  C   LIG    1        3.992  -1.061  -0.097  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        3.884   0.319  -0.385  0.00  0.00    +0.043 A 
ATOM     16  C   LIG    1        2.595   0.868  -0.276  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        1.494   0.082   0.074  0.00  0.00    +0.075 A 
ATOM     18  C   LIG    1        5.049  -2.017  -0.030  0.00  0.00    +0.031 A 
ATOM     19  N   LIG    1        1.580  -1.246   0.324  0.00  0.00    -0.229 NA
ATOM     20  C   LIG    1        4.507  -3.235   0.320  0.00  0.00    +0.088 A 
BRANCH  15  21
ATOM     21  N   LIG    1        4.930   1.192  -0.736  0.00  0.00    -0.329 N 
ATOM     22  C   LIG    1        5.819   0.769  -1.831  0.00  0.00    +0.105 C 
ATOM     23  C   LIG    1        7.236   0.919  -1.281  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1        7.082   1.979  -0.204  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1        5.740   1.613   0.417  0.00  0.00    +0.105 C 
ENDBRANCH  15  21
ENDBRANCH   1  17
BRANCH   5  26
ATOM     26  C   LIG    1       -5.960   0.740  -0.087  0.00  0.00    +0.163 C 
ATOM     27  C   LIG    1       -6.404  -0.102   1.121  0.00  0.00    +0.240 C 
ATOM     28  O   LIG    1       -5.673  -0.420   2.056  0.00  0.00    -0.273 OA
ATOM     29  N   LIG    1       -7.719  -0.510   1.100  0.00  0.00    -0.255 N 
ATOM     30  H   LIG    1       -7.997  -1.077   1.890  0.00  0.00    +0.158 HD
ATOM     31  C   LIG    1       -8.487  -0.678  -0.024  0.00  0.00    +0.219 C 
ATOM     32  O   LIG    1       -9.489  -1.387  -0.006  0.00  0.00    -0.275 OA
ATOM     33  C   LIG    1       -8.046   0.068  -1.262  0.00  0.00    +0.098 C 
ATOM     34  C   LIG    1       -6.529   0.119  -1.360  0.00  0.00    +0.041 C 
ENDBRANCH   5  26
TORSDOF 3