REMARK  Name = BDB032022
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.053  -0.102  -0.097  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.194   0.341   0.157  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.115  -0.039  -0.730  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.487   0.269  -0.718  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -3.102  -0.383  -1.809  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.072  -1.041  -2.511  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -2.232  -1.858  -3.679  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.288  -0.388  -2.097  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.877  -0.828  -1.829  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.400  -1.240  -2.021  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.376  -0.880  -1.159  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.126   0.992   0.374  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1       -4.117   2.063  -0.124  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -5.479   1.989   0.554  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -6.067   0.582   0.496  0.00  0.00    +0.115 C 
ATOM     16  C   LIG    1       -5.121  -0.494   1.035  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1       -3.738   0.035   1.410  0.00  0.00    +0.028 C 
BRANCH  15  18
ATOM     18  O   LIG    1       -7.269   0.559   1.266  0.00  0.00    -0.392 OA
ATOM     19  H   LIG    1       -7.905   1.147   0.824  0.00  0.00    +0.210 HD
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  20
ATOM     20  N   LIG    1        2.004   0.296   0.839  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1        1.542   0.863   1.534  0.00  0.00    +0.155 HD
BRANCH  20  24
ATOM     22  C   LIG    1        3.317   1.325   3.222  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1        4.054   0.620   2.114  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1        3.392   0.137   0.965  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        4.169  -0.518   0.000  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        5.561  -0.683   0.148  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.215  -0.192   1.289  0.00  0.00    +0.071 A 
ATOM     28  N   LIG    1        7.542  -0.324   1.476  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1        8.256  -0.956   0.520  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        7.705  -1.474  -0.636  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        6.336  -1.334  -0.823  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1        5.448   0.449   2.248  0.00  0.00    +0.033 A 
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4