REMARK  Name = BDB032517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.712  -1.303  -0.800  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1        0.951  -1.218   0.525  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1        0.213  -0.322   1.215  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1       -0.731   0.510   0.636  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -0.961   0.412  -0.740  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -0.228  -0.530  -1.465  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        1.401  -2.206  -1.575  0.00  0.00    -0.468 OA
BRANCH   7   8
ATOM      8  C   LIG    1        2.499  -2.866  -0.942  0.00  0.00    +0.306 C 
BRANCH   8  14
ATOM      9  C   LIG    1        4.066  -0.667   0.648  0.00  0.00    +0.152 C 
ATOM     10  N   LIG    1        4.410  -1.207  -0.639  0.00  0.00    -0.315 N 
ATOM     11  C   LIG    1        5.487  -0.841  -1.399  0.00  0.00    +0.136 A 
ATOM     12  N   LIG    1        5.516  -1.565  -2.494  0.00  0.00    -0.134 NA
ATOM     13  N   LIG    1        4.427  -2.402  -2.468  0.00  0.00    -0.131 NA
ATOM     14  C   LIG    1        3.753  -2.176  -1.355  0.00  0.00    +0.171 A 
BRANCH  11  15
ATOM     15  C   LIG    1        6.542   0.244  -1.054  0.00  0.00    +0.057 C 
ATOM     16  C   LIG    1        7.109   1.093  -2.163  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1        6.158   1.695  -1.170  0.00  0.00    +0.012 C 
ENDBRANCH  11  15
ENDBRANCH   8  14
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   5  18
ATOM     18  C   LIG    1       -1.996   1.274  -1.419  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.334   0.701  -1.265  0.00  0.00    -0.339 N 
ATOM     20  H   LIG    1       -3.334  -0.298  -1.428  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -4.038   1.075  -0.100  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -4.364   0.143   0.934  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -5.040   0.601   2.094  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.354  -0.344   3.104  0.00  0.00    +0.124 A 
ATOM     25  N   LIG    1       -5.032  -1.647   3.026  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1       -4.387  -2.061   1.925  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1       -5.370   1.974   2.195  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -5.047   2.876   1.186  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -4.038  -1.226   0.878  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1       -4.386   2.427   0.052  0.00  0.00    +0.023 A 
BRANCH  24  31
ATOM     31  N   LIG    1       -6.021   0.036   4.281  0.00  0.00    -0.343 N 
ATOM     32  H   LIG    1       -6.913   0.458   4.037  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1       -5.460   0.720   4.777  0.00  0.00    +0.144 HD
ENDBRANCH  24  31
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 8