REMARK  Name = BDB022965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.686   2.740   0.521  0.00  0.00    +0.035 C 
ATOM      2  C   LIG    1       -0.237   1.456  -0.189  0.00  0.00    +0.122 C 
ATOM      3  N   LIG    1       -0.782   1.371  -1.558  0.00  0.00    -0.293 N 
ATOM      4  C   LIG    1       -1.878   0.630  -1.982  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -2.345   0.828  -3.112  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -0.131   2.189  -2.596  0.00  0.00    +0.113 C 
ATOM      7  C   LIG    1        1.219   2.823  -2.227  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1        1.964   2.017  -1.216  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        3.331   1.919  -1.155  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.979   1.220  -0.204  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.234   0.612   0.729  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        1.896   0.655   0.760  0.00  0.00    -0.217 NA
ATOM     13  C   LIG    1        1.279   1.362  -0.211  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.491  -0.496  -1.143  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.211  -0.048   0.145  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -3.070  -1.109   1.270  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -3.179  -2.478   0.757  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -3.267  -3.460   1.833  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -2.131  -2.829  -0.207  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -1.484  -1.628  -0.904  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.651   0.369  -0.152  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -5.704  -0.556  -0.208  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -7.006  -0.141  -0.497  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -7.274   1.202  -0.745  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.239   2.132  -0.709  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.937   1.719  -0.419  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        3.817  -0.118   1.745  0.00  0.00    -0.310 N 
ATOM     28  H   LIG    1        3.081  -0.684   2.151  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.092  -0.802   1.544  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1        5.096  -1.730   0.330  0.00  0.00    +0.050 C 
ATOM     31  C   LIG    1        6.431  -2.462   0.218  0.00  0.00    +0.161 C 
ATOM     32  O   LIG    1        7.535  -1.738   0.764  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1        7.393  -0.327   0.635  0.00  0.00    +0.161 C 
ATOM     34  C   LIG    1        6.285   0.161   1.556  0.00  0.00    +0.050 C 
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 4