REMARK  Name = BDB047099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.429  -0.893   0.498  0.00  0.00    +0.068 A 
ATOM      2  C   LIG    1        4.068   0.265  -0.027  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        5.297   0.104  -0.699  0.00  0.00    +0.113 A 
ATOM      4  N   LIG    1        5.989   1.129  -1.242  0.00  0.00    -0.251 NA
ATOM      5  C   LIG    1        5.478   2.372  -1.121  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1        4.294   2.652  -0.472  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        5.838  -1.175  -0.804  0.00  0.00    +0.143 A 
ATOM      8  C   LIG    1        5.230  -2.305  -0.271  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        3.586   1.590   0.082  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.018  -2.163   0.390  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        2.131  -0.842   1.201  0.00  0.00    +0.340 C 
ATOM     12  O   LIG    1        1.935  -1.347   2.293  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1        1.216  -0.242   0.402  0.00  0.00    -0.461 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -0.122  -0.185   0.923  0.00  0.00    +0.232 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.881  -1.451   0.536  0.00  0.00    +0.041 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.302  -1.513   1.099  0.00  0.00    +0.003 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.234  -0.367   0.692  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.457  -0.272  -0.820  0.00  0.00    -0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.393   0.871  -1.225  0.00  0.00    -0.000 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -6.746   1.768  -1.297  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1       -5.838   0.668  -0.767  0.00  0.00    -0.003 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   7  22
ATOM     22  O   LIG    1        7.038  -1.342  -1.456  0.00  0.00    -0.505 OA
ATOM     23  H   LIG    1        7.283  -0.433  -1.735  0.00  0.00    +0.292 HD
ENDBRANCH   7  22
TORSDOF 10