REMARK  Name = BDB021892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.236   1.035   0.673  0.00  0.00    -0.298 NA
ATOM      2  C   LIG    1       -0.179   1.916   1.191  0.00  0.00    +0.086 C 
ATOM      3  C   LIG    1        0.818   2.370   0.129  0.00  0.00    +0.038 C 
ATOM      4  C   LIG    1        1.517   1.174  -0.531  0.00  0.00    +0.077 C 
ATOM      5  C   LIG    1        0.643  -0.088  -0.507  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1       -0.838   0.279  -0.528  0.00  0.00    +0.086 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.813   0.918   0.097  0.00  0.00    -0.296 N 
ATOM      8  H   LIG    1        2.791   0.740   1.090  0.00  0.00    +0.151 HD
ATOM      9  C   LIG    1        3.791   0.213  -0.584  0.00  0.00    +0.304 C 
ATOM     10  N   LIG    1        4.897   0.033   0.217  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        4.923   0.606   1.047  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        3.648  -0.160  -1.740  0.00  0.00    -0.253 OA
BRANCH  10  13
ATOM     13  C   LIG    1        6.063  -0.701  -0.075  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        7.119  -0.621   0.845  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        8.311  -1.333   0.643  0.00  0.00    -0.049 A 
ATOM     16  C   LIG    1        9.443  -1.208   1.620  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        8.448  -2.118  -0.505  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        7.401  -2.207  -1.421  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        6.211  -1.506  -1.204  0.00  0.00    +0.023 A 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -2.498   1.766   0.462  0.00  0.00    +0.119 C 
BRANCH  20  25
ATOM     21  C   LIG    1       -5.539   0.192  -1.238  0.00  0.00    +0.165 A 
ATOM     22  C   LIG    1       -5.901  -0.770  -0.280  0.00  0.00    +0.204 A 
ATOM     23  C   LIG    1       -5.149  -0.954   0.892  0.00  0.00    +0.165 A 
ATOM     24  C   LIG    1       -4.052  -0.122   1.123  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1       -3.684   0.862   0.188  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1       -4.434   1.010  -0.990  0.00  0.00    +0.054 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -5.853   1.046  -3.442  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -6.333   0.269  -2.354  0.00  0.00    -0.491 OA
ENDBRANCH  21  28
BRANCH  22  29
ATOM     29  O   LIG    1       -6.968  -1.605  -0.536  0.00  0.00    -0.488 OA
ATOM     30  C   LIG    1       -8.160  -1.044   0.011  0.00  0.00    +0.277 C 
ENDBRANCH  22  29
BRANCH  23  31
ATOM     31  O   LIG    1       -5.573  -1.941   1.743  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -4.683  -2.320   2.785  0.00  0.00    +0.277 C 
ENDBRANCH  23  31
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 7