REMARK  Name = BDB032035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.840   0.230  -0.076  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.382  -0.315  -0.230  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.382   0.565  -0.304  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.750   0.287  -0.462  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1       -3.461   1.505  -0.446  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.498   2.526  -0.325  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -2.760   3.934  -0.246  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.669   1.658  -0.519  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.243   1.930  -0.230  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.016   2.408  -0.073  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.068   1.565   0.004  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.291  -1.066  -0.478  0.00  0.00    +0.119 C 
ATOM     13  C   LIG    1       -4.294  -1.299  -1.626  0.00  0.00    +0.185 C 
ATOM     14  O   LIG    1       -5.450  -2.021  -1.192  0.00  0.00    -0.378 OA
ATOM     15  C   LIG    1       -6.173  -1.287  -0.205  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1       -5.338  -1.056   1.051  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1       -3.880  -1.466   0.882  0.00  0.00    +0.030 C 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  N   LIG    1        1.875  -0.698   0.007  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        1.475  -1.621  -0.077  0.00  0.00    +0.155 HD
BRANCH  18  22
ATOM     20  C   LIG    1        3.405  -3.157   0.287  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        4.038  -1.790   0.256  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1        3.271  -0.614   0.111  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        3.957   0.608   0.108  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        5.360   0.680   0.230  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        6.114  -0.492   0.363  0.00  0.00    +0.094 A 
ATOM     26  N   LIG    1        7.452  -0.443   0.479  0.00  0.00    -0.149 NA
ATOM     27  N   LIG    1        8.114   0.756   0.470  0.00  0.00    -0.157 NA
ATOM     28  C   LIG    1        7.412   1.895   0.343  0.00  0.00    +0.135 A 
ATOM     29  C   LIG    1        6.039   1.902   0.221  0.00  0.00    +0.031 A 
ATOM     30  C   LIG    1        5.441  -1.705   0.375  0.00  0.00    +0.035 A 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3