REMARK  Name = BDB032454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.708  -0.698   0.054  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -2.154  -1.337  -1.046  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -1.412  -1.206  -2.166  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1       -0.242  -0.465  -2.237  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.200   0.196  -1.088  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -0.553   0.067   0.083  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -2.423  -0.762   1.233  0.00  0.00    -0.472 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -3.602  -1.570   1.178  0.00  0.00    +0.266 C 
BRANCH   8  14
ATOM      9  C   LIG    1       -8.534   0.979  -0.345  0.00  0.00    +0.152 C 
ATOM     10  N   LIG    1       -7.262   0.392   0.041  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -6.144   1.212   0.176  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -6.137   2.428  -0.003  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.882   0.531   0.572  0.00  0.00    +0.077 A 
ATOM     14  C   LIG    1       -4.841  -0.797   0.778  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1       -6.057  -1.571   0.607  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -7.201  -0.973   0.254  0.00  0.00    +0.089 A 
ENDBRANCH   8  14
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   5  17
ATOM     17  C   LIG    1        1.470   1.008  -1.093  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.497   0.281  -0.362  0.00  0.00    -0.339 N 
ATOM     19  H   LIG    1        2.493  -0.708  -0.598  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.815   0.774  -0.289  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        4.845  -0.036   0.290  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        6.171   0.457   0.369  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        7.167  -0.388   0.908  0.00  0.00    +0.124 A 
ATOM     24  N   LIG    1        6.928  -1.621   1.388  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1        5.657  -2.055   1.341  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1        6.441   1.769  -0.070  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        5.431   2.580  -0.571  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        4.609  -1.323   0.811  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        4.131   2.089  -0.668  0.00  0.00    +0.023 A 
BRANCH  23  30
ATOM     30  N   LIG    1        8.508   0.007   0.991  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1        9.007  -0.789   1.381  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        8.862   0.250   0.073  0.00  0.00    +0.144 HD
ENDBRANCH  23  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 7