REMARK  Name = BDB024731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.460  -0.592  -0.742  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.552   0.311  -0.170  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.117   1.599   0.261  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.974   2.664  -0.830  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.539   2.024   1.607  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.034   2.161   1.528  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.391   1.002   0.817  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.996   0.804   0.946  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.095   1.532   1.680  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.085   0.980   1.473  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.970  -0.122   0.644  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.357  -0.226   0.269  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.052  -1.078  -0.587  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.433  -0.875  -0.720  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.130   0.123  -0.019  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.596  -0.277  -1.092  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.055  -1.014   0.244  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1       -1.835  -2.466   0.681  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1       -3.063  -3.325   0.358  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1       -3.822  -2.850  -0.807  0.00  0.00    -0.305 NA
ATOM     21  C   LIG    1       -4.623  -3.928  -1.383  0.00  0.00    +0.104 C 
ATOM     22  C   LIG    1       -2.965  -2.219  -1.808  0.00  0.00    +0.086 C 
ATOM     23  C   LIG    1       -2.395  -0.911  -1.253  0.00  0.00    +0.040 C 
ENDBRANCH  11  17
BRANCH   1  25
ATOM     24  C   LIG    1        5.967  -2.811  -1.321  0.00  0.00    +0.282 C 
ATOM     25  O   LIG    1        5.016  -1.879  -0.805  0.00  0.00    -0.453 OA
ENDBRANCH   1  25
BRANCH  10  26
ATOM     26  C   LIG    1       -2.368   1.497   2.056  0.00  0.00    +0.109 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.277   2.157   1.041  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1       -2.806   3.203   0.233  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -3.646   3.814  -0.700  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.967   3.393  -0.829  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.452   2.365  -0.023  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.613   1.752   0.911  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH  10  26
TORSDOF 4