REMARK  Name = BDB003731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.224  -0.194   0.494  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1        2.174   0.816   0.288  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        3.559   0.558   0.322  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        4.039  -0.748   0.540  0.00  0.00    +0.112 A 
ATOM      5  N   LIG    1        5.367  -1.010   0.580  0.00  0.00    -0.251 NA
ATOM      6  C   LIG    1        6.236   0.007   0.402  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        5.852   1.312   0.178  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        3.078  -1.754   0.700  0.00  0.00    +0.144 A 
ATOM      9  C   LIG    1        4.492   1.589   0.138  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        1.700  -1.494   0.665  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -0.130   0.135   0.382  0.00  0.00    -0.344 N 
ATOM     12  H   LIG    1       -0.301   1.104   0.645  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -1.151  -0.781   0.882  0.00  0.00    +0.103 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.547  -0.173   0.716  0.00  0.00    +0.034 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.957  -0.072  -0.761  0.00  0.00    +0.085 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -4.473   1.839  -0.604  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1       -4.304   0.454  -1.032  0.00  0.00    -0.308 NA
ATOM     18  C   LIG    1       -5.369  -0.395  -0.508  0.00  0.00    +0.104 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   8  19
ATOM     19  O   LIG    1        3.501  -3.051   0.893  0.00  0.00    -0.505 OA
ATOM     20  H   LIG    1        2.735  -3.643   0.909  0.00  0.00    +0.292 HD
ENDBRANCH   8  19
TORSDOF 6