REMARK  Name = BDB002000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.174   0.124   1.123  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.190  -0.218   0.676  0.00  0.00    -0.290 NA
ATOM      3  C   LIG    1       -1.261   0.417   1.471  0.00  0.00    +0.100 C 
ATOM      4  C   LIG    1       -2.131   1.428   0.688  0.00  0.00    +0.100 C 
ATOM      5  N   LIG    1       -2.720   0.898  -0.558  0.00  0.00    -0.297 NA
ATOM      6  C   LIG    1       -1.958  -0.244  -1.089  0.00  0.00    +0.100 C 
ATOM      7  C   LIG    1       -0.450  -0.140  -0.766  0.00  0.00    +0.100 C 
BRANCH   5   8
ATOM      8  C   LIG    1       -4.169   0.711  -0.480  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -4.843   0.215  -1.763  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -6.266  -0.097  -1.310  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -6.150  -0.528   0.153  0.00  0.00    +0.002 C 
ATOM     12  C   LIG    1       -4.698  -0.281   0.563  0.00  0.00    +0.019 C 
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1        1.535   1.585   0.981  0.00  0.00    +0.169 A 
ATOM     14  N   LIG    1        2.181   2.234  -0.045  0.00  0.00    -0.220 N 
ATOM     15  N   LIG    1        2.278   3.550   0.245  0.00  0.00    -0.043 NA
ATOM     16  N   LIG    1        1.721   3.694   1.433  0.00  0.00    -0.023 NA
ATOM     17  N   LIG    1        1.261   2.498   1.901  0.00  0.00    -0.112 NA
BRANCH  14  18
ATOM     18  C   LIG    1        2.703   1.774  -1.313  0.00  0.00    +0.221 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.129   1.377  -1.199  0.00  0.00    +0.126 A 
ATOM     20  O   LIG    1        4.460   0.161  -1.724  0.00  0.00    -0.466 OA
ATOM     21  C   LIG    1        5.790  -0.013  -1.522  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1        6.326   1.078  -0.879  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        5.255   1.981  -0.675  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  14  18
ENDBRANCH   1  13
BRANCH   1  24
ATOM     24  C   LIG    1        2.244  -0.860   0.602  0.00  0.00    +0.030 C 
BRANCH  24  26
ATOM     25  C   LIG    1        2.074  -2.566   2.506  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1        2.030  -2.341   0.994  0.00  0.00    -0.015 C 
ATOM     27  C   LIG    1        3.099  -3.206   0.316  0.00  0.00    +0.007 C 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 7