REMARK  Name = BDB064890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.654  -0.075  -0.192  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1        0.243  -0.955   0.789  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1       -1.126  -0.950   0.809  0.00  0.00    -0.231 N 
ATOM      4  N   LIG    1       -1.870  -1.574   1.742  0.00  0.00    -0.155 NA
ATOM      5  C   LIG    1       -1.180  -2.235   2.616  0.00  0.00    +0.245 A 
ATOM      6  N   LIG    1        0.181  -2.403   2.638  0.00  0.00    -0.217 NA
ATOM      7  C   LIG    1       -1.606  -0.206  -0.246  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        0.896  -1.802   1.735  0.00  0.00    +0.144 A 
ATOM      9  C   LIG    1       -0.508   0.341  -0.887  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.656   0.726   0.145  0.00  0.00    +0.144 A 
ATOM     11  C   LIG    1        4.324   0.744  -0.294  0.00  0.00    +0.089 A 
ATOM     12  C   LIG    1        3.901   1.401  -1.448  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        2.496   1.197  -1.557  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1        2.099   0.410  -0.498  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1        4.854   2.087  -2.222  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        6.190   2.083  -1.812  0.00  0.00    +0.004 A 
ATOM     17  N   LIG    1        3.206   0.175   0.271  0.00  0.00    -0.351 N 
ATOM     18  H   LIG    1        3.210  -0.327   1.151  0.00  0.00    +0.166 HD
ATOM     19  C   LIG    1        6.583   1.413  -0.650  0.00  0.00    +0.048 A 
BRANCH  10  21
ATOM     20  C   LIG    1        7.253   0.140   1.798  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        5.928   0.038   1.293  0.00  0.00    -0.493 OA
ENDBRANCH  10  21
ENDBRANCH   1  14
BRANCH   7  22
ATOM     22  C   LIG    1       -3.067  -0.037  -0.569  0.00  0.00    +0.038 C 
ATOM     23  C   LIG    1       -3.818   0.750   0.522  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -5.244   0.248   0.765  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -5.970  -0.131  -0.527  0.00  0.00    +0.098 C 
ATOM     26  C   LIG    1       -5.197  -1.175  -1.353  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1       -3.745  -1.370  -0.906  0.00  0.00    +0.010 C 
BRANCH  25  28
ATOM     28  C   LIG    1       -6.275   1.125  -1.335  0.00  0.00    +0.308 C 
ATOM     29  O   LIG    1       -5.634   1.515  -2.298  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.346   1.807  -0.865  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -7.763   1.403  -0.081  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  25  28
ENDBRANCH   7  22
BRANCH   8  32
ATOM     32  N   LIG    1        2.237  -2.079   1.734  0.00  0.00    -0.341 N 
ATOM     33  H   LIG    1        2.574  -2.324   0.805  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        2.432  -2.840   2.380  0.00  0.00    +0.144 HD
ENDBRANCH   8  32
TORSDOF 6