REMARK  Name = BDB024829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.930  -1.774   0.636  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        5.201  -0.645   0.223  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.904   0.631  -0.057  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.751   0.534  -1.339  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.989   1.858  -0.207  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.853   1.803   0.788  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        3.072   0.554   0.508  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.662   0.533   0.549  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.787   1.562   0.806  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.421   1.044   0.726  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -0.355  -0.304   0.434  0.00  0.00    -0.319 N 
ATOM     12  C   LIG    1        0.973  -0.649   0.312  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        1.626  -1.847   0.021  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.027  -1.820  -0.007  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.762  -0.650   0.237  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.466  -2.868   0.944  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        8.059  -2.632   1.158  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        7.273  -1.525   0.715  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.483  -1.222   0.333  0.00  0.00    +0.219 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.216  -1.111  -0.996  0.00  0.00    +0.235 C 
ATOM     21  N   LIG    1       -3.487  -1.700  -1.088  0.00  0.00    -0.298 N 
ATOM     22  C   LIG    1       -4.228  -1.432  -2.321  0.00  0.00    +0.132 C 
ATOM     23  O   LIG    1       -1.698  -0.542  -1.958  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.218  -2.232   0.088  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1       -5.351  -3.215  -0.203  0.00  0.00    +0.182 C 
ATOM     26  O   LIG    1       -6.548  -2.441  -0.367  0.00  0.00    -0.378 OA
ATOM     27  C   LIG    1       -6.343  -1.153   0.233  0.00  0.00    +0.162 C 
ATOM     28  C   LIG    1       -4.959  -1.149   0.851  0.00  0.00    +0.053 C 
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  29
ATOM     29  C   LIG    1       -1.683   1.818   0.922  0.00  0.00    +0.097 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.082   2.556  -0.349  0.00  0.00    +0.151 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -3.357   3.232  -0.187  0.00  0.00    -0.271 N 
ATOM     32  N   LIG    1       -4.489   2.507  -0.065  0.00  0.00    -0.180 NA
ATOM     33  C   LIG    1       -5.443   3.435   0.052  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1       -4.926   4.743   0.019  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1       -3.570   4.579  -0.135  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7