REMARK  Name = BDB021304
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.155  -1.847  -2.075  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        3.125  -1.159  -1.392  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        2.496  -0.529  -0.414  0.00  0.00    +0.152 A 
ATOM      4  N   LIG    1        1.140  -0.810  -0.441  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1        0.224  -0.281   0.489  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.655   0.530   1.412  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        2.002   0.829   1.444  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        2.956   0.357   0.608  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1        0.917  -1.647  -1.512  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.368   0.798   0.809  0.00  0.00    +0.076 A 
ATOM     11  N   LIG    1        4.563   1.884   1.606  0.00  0.00    -0.255 NA
ATOM     12  C   LIG    1        5.829   2.314   1.804  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1        6.942   1.712   1.247  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        6.742   0.603   0.439  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        5.446   0.140   0.217  0.00  0.00    +0.028 A 
ENDBRANCH   8  10
BRANCH   1  17
ATOM     16  N   LIG    1        2.683  -3.305  -4.153  0.00  0.00    -0.189 NA
ATOM     17  C   LIG    1        2.466  -2.646  -3.221  0.00  0.00    +0.121 C 
ENDBRANCH   1  17
BRANCH   5  18
ATOM     18  N   LIG    1       -1.105  -0.636   0.387  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.316  -1.513  -0.073  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.046  -0.316   1.447  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.444  -0.558   0.959  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.068   0.287   0.045  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.551   1.492  -0.647  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -4.862   2.026  -1.224  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -5.810   0.938  -1.326  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.350   0.022  -0.417  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.068  -1.083  -0.005  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.466  -1.942   0.915  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.172  -1.676   1.384  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.619  -2.537   2.250  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 5