REMARK  Name = BDB062389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.829  -1.730  -0.077  0.00  0.00    -0.346 N 
ATOM      2  C   LIG    1        1.060  -1.510  -1.199  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -0.276  -1.666  -0.813  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.275  -1.520  -1.800  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.921  -1.208  -3.116  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.413  -1.040  -3.467  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.295  -1.960   0.592  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1        1.426  -1.190  -2.518  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        1.029  -2.027   0.993  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        3.281  -1.684  -0.022  0.00  0.00    +0.123 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.804  -0.263   0.157  0.00  0.00    +0.040 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.324  -0.255   0.273  0.00  0.00    +0.109 C 
BRANCH  12  14
ATOM     13  C   LIG    1        6.072   1.873  -0.709  0.00  0.00    +0.400 C 
ATOM     14  N   LIG    1        5.843   1.087   0.379  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        5.913   1.547   1.276  0.00  0.00    +0.152 HD
ATOM     16  O   LIG    1        5.943   1.524  -1.872  0.00  0.00    -0.226 OA
BRANCH  13  18
ATOM     17  C   LIG    1        6.716   4.018  -1.357  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        6.456   3.103  -0.292  0.00  0.00    -0.454 OA
ENDBRANCH  13  18
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   7  19
ATOM     19  C   LIG    1       -1.486  -2.211   1.469  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.339  -1.024   1.593  0.00  0.00    -0.292 N 
ATOM     21  C   LIG    1       -3.596  -1.062   0.968  0.00  0.00    +0.246 C 
ATOM     22  O   LIG    1       -3.963  -2.034   0.298  0.00  0.00    -0.273 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -4.536   0.159   1.169  0.00  0.00    +0.217 C 
ATOM     24  O   LIG    1       -4.007   1.364   0.603  0.00  0.00    -0.365 OA
ATOM     25  C   LIG    1       -4.690   1.819  -0.570  0.00  0.00    +0.176 C 
ATOM     26  C   LIG    1       -5.164   0.669  -1.462  0.00  0.00    +0.109 C 
ATOM     27  N   LIG    1       -6.142  -0.206  -0.792  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1       -5.946  -1.166  -1.093  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -5.970  -0.154   0.674  0.00  0.00    +0.122 C 
ENDBRANCH  21  23
BRANCH  20  30
ATOM     30  C   LIG    1       -2.036  -0.081   2.650  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1       -0.651   0.417   2.982  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1       -1.635   1.339   2.340  0.00  0.00    +0.024 C 
ENDBRANCH  20  30
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 9