REMARK  Name = BDB028859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.530   3.150  -1.797  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.171   2.074  -1.008  0.00  0.00    +0.165 A 
ATOM      3  N   LIG    1        1.255   1.184  -1.007  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        1.189  -0.039  -0.273  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1        0.055  -0.299   0.411  0.00  0.00    +0.110 A 
ATOM      6  C   LIG    1       -1.027   0.707   0.343  0.00  0.00    +0.220 A 
ATOM      7  N   LIG    1        2.275   1.667  -1.776  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -0.980   1.820  -0.319  0.00  0.00    -0.193 NA
ATOM      9  C   LIG    1        1.831   2.835  -2.234  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.377   5.643  -1.587  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -0.288   4.367  -2.108  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1       -0.577   4.485  -3.606  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   4  13
ATOM     13  N   LIG    1        2.258  -0.945  -0.251  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1        2.010  -1.877   0.071  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.409  -0.941  -1.140  0.00  0.00    +0.158 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.305  -2.102  -0.878  0.00  0.00    +0.056 A 
ATOM     17  N   LIG    1        5.202  -2.142   0.160  0.00  0.00    -0.270 N 
ATOM     18  C   LIG    1        5.439  -1.122   1.155  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1        5.900  -3.294   0.213  0.00  0.00    -0.180 NA
ATOM     20  C   LIG    1        5.442  -3.995  -0.825  0.00  0.00    +0.134 A 
ATOM     21  C   LIG    1        4.447  -3.306  -1.538  0.00  0.00    +0.046 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   4  13
BRANCH   6  22
ATOM     22  O   LIG    1       -2.167   0.465   1.023  0.00  0.00    -0.473 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.479  -0.714   1.805  0.00  0.00    +0.178 C 
ATOM     24  C   LIG    1       -3.588  -0.327   2.783  0.00  0.00    +0.060 C 
ATOM     25  C   LIG    1       -4.089  -1.549   3.549  0.00  0.00    +0.087 C 
ATOM     26  N   LIG    1       -4.515  -2.658   2.686  0.00  0.00    -0.305 NA
ATOM     27  C   LIG    1       -5.807  -2.397   2.052  0.00  0.00    +0.104 C 
ATOM     28  C   LIG    1       -3.481  -3.018   1.710  0.00  0.00    +0.087 C 
ATOM     29  C   LIG    1       -2.960  -1.839   0.891  0.00  0.00    +0.060 C 
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 6