REMARK  Name = BDB063333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.373  -1.439   1.485  0.00  0.00    +0.202 A 
ATOM      2  N   LIG    1       -1.065  -1.984   0.226  0.00  0.00    -0.271 N 
ATOM      3  C   LIG    1        0.030  -1.586  -0.515  0.00  0.00    +0.149 A 
ATOM      4  N   LIG    1        0.084  -2.231  -1.666  0.00  0.00    -0.235 NA
ATOM      5  C   LIG    1       -0.976  -3.098  -1.653  0.00  0.00    +0.131 A 
ATOM      6  C   LIG    1        0.879  -0.599   0.071  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        0.540  -0.178   1.310  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -1.693  -2.978  -0.488  0.00  0.00    +0.115 A 
ATOM      9  N   LIG    1       -0.569  -0.568   2.032  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        2.111  -0.062  -0.560  0.00  0.00    -0.012 A 
ATOM     11  C   LIG    1        2.361   1.324  -0.596  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1        3.537   1.814  -1.201  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        4.430   0.906  -1.766  0.00  0.00    +0.046 A 
ATOM     14  N   LIG    1        5.476   1.635  -2.285  0.00  0.00    -0.361 N 
ATOM     15  H   LIG    1        6.272   1.234  -2.760  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1        5.275   2.972  -2.066  0.00  0.00    +0.083 A 
ATOM     17  C   LIG    1        4.206  -0.474  -1.761  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        4.080   3.114  -1.398  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        3.032  -0.937  -1.152  0.00  0.00    +0.011 A 
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  N   LIG    1       -2.507  -1.829   2.166  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1       -2.437  -1.449   3.111  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.825  -1.454   1.651  0.00  0.00    +0.178 C 
BRANCH  22  25
ATOM     23  C   LIG    1       -4.496   2.197   1.754  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -3.960   1.104   1.032  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -4.163  -0.014   1.816  0.00  0.00    +0.122 A 
ATOM     26  O   LIG    1       -4.788   0.337   2.977  0.00  0.00    -0.466 OA
ATOM     27  C   LIG    1       -4.986   1.679   2.929  0.00  0.00    +0.195 A 
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 4