REMARK  Name = BDB047088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.301  -0.645   0.365  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -1.942   0.352   1.033  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1       -3.452   0.400   0.966  0.00  0.00    +0.279 A 
ATOM      4  O   LIG    1       -4.148   1.229   1.538  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1       -4.041  -0.604   0.179  0.00  0.00    -0.179 N 
ATOM      6  C   LIG    1       -3.342  -1.584  -0.492  0.00  0.00    +0.156 A 
ATOM      7  C   LIG    1       -4.272  -2.360  -1.137  0.00  0.00    +0.114 A 
ATOM      8  C   LIG    1       -5.511  -1.784  -0.804  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1       -5.387  -0.718  -0.007  0.00  0.00    -0.169 NA
ATOM     10  N   LIG    1       -1.997  -1.587  -0.388  0.00  0.00    -0.338 N 
ATOM     11  H   LIG    1       -1.413  -2.296  -0.837  0.00  0.00    +0.167 HD
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        2.220  -0.904  -0.232  0.00  0.00    -0.271 N 
ATOM     13  N   LIG    1        2.249  -1.216   1.079  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1        0.968  -1.149   1.450  0.00  0.00    +0.144 A 
ATOM     15  C   LIG    1        0.122  -0.797   0.379  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1        0.959  -0.672  -0.706  0.00  0.00    +0.118 A 
BRANCH  12  17
ATOM     17  C   LIG    1        3.453  -0.875  -0.998  0.00  0.00    +0.146 C 
BRANCH  17  19
ATOM     18  C   LIG    1        4.416   1.244   0.028  0.00  0.00    +0.009 C 
ATOM     19  C   LIG    1        3.975   0.547  -1.262  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1        5.144   0.494  -2.248  0.00  0.00    +0.009 C 
ENDBRANCH  17  19
ENDBRANCH  12  17
ENDBRANCH   1  15
BRANCH   2  21
ATOM     21  C   LIG    1       -1.260   1.453   1.839  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1       -1.547   2.855   1.291  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -1.581   1.362   3.334  0.00  0.00    +0.012 C 
ENDBRANCH   2  21
BRANCH   7  24
ATOM     24  C   LIG    1       -4.030  -3.493  -1.959  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1       -3.817  -4.415  -2.631  0.00  0.00    -0.191 NA
ENDBRANCH   7  24
TORSDOF 5