REMARK  Name = BDB042456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.067   0.249  -0.260  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -2.705  -0.528  -1.455  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -1.181  -0.737  -1.552  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1       -0.415   0.512  -1.491  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.895   0.661  -1.919  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        1.461   1.754  -1.908  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.108   1.664  -0.909  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -2.101   1.267   0.199  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -6.917   0.005   1.487  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -6.703  -0.454   0.189  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -5.427  -0.371  -0.386  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -4.331   0.171   0.305  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -4.579   0.622   1.614  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -5.850   0.543   2.201  0.00  0.00    +0.020 A 
BRANCH   9  16
ATOM     15  N   LIG    1       -9.274  -0.147   2.560  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1       -8.219  -0.079   2.080  0.00  0.00    +0.099 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1        1.587  -0.588  -2.447  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.103  -0.414  -2.578  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.815  -0.485  -1.248  0.00  0.00    +0.022 A 
ATOM     20  N   LIG    1        3.970  -1.732  -0.682  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1        3.618  -2.556  -1.157  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1        4.599  -1.979   0.520  0.00  0.00    +0.258 A 
ATOM     23  O   LIG    1        4.700  -3.112   0.977  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1        5.145  -0.805   1.227  0.00  0.00    +0.065 A 
ATOM     25  C   LIG    1        4.998   0.452   0.652  0.00  0.00    +0.078 A 
ATOM     26  N   LIG    1        5.469   1.587   1.222  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1        6.106   1.451   2.408  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        6.297   0.236   3.053  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        5.806  -0.917   2.449  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1        4.310   0.598  -0.627  0.00  0.00    +0.049 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5