REMARK  Name = BDB048371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.212  -0.221  -0.364  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1        0.145  -0.782  -1.127  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.557  -0.060  -0.281  0.00  0.00    +0.150 A 
ATOM      4  C   LIG    1       -2.449  -0.700  -1.183  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -2.198  -1.622  -2.321  0.00  0.00    +0.148 C 
ATOM      6  N   LIG    1       -3.468  -2.161  -2.855  0.00  0.00    -0.297 N 
ATOM      7  C   LIG    1       -4.642  -1.262  -2.851  0.00  0.00    +0.114 C 
ATOM      8  C   LIG    1       -4.970  -0.706  -1.450  0.00  0.00    +0.074 C 
ATOM      9  C   LIG    1       -3.503  -3.261  -3.708  0.00  0.00    +0.213 C 
ATOM     10  O   LIG    1       -4.502  -3.575  -4.354  0.00  0.00    -0.276 OA
ATOM     11  C   LIG    1       -2.248  -4.093  -3.810  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -3.707  -0.284  -0.802  0.00  0.00    +0.047 A 
ATOM     13  N   LIG    1       -3.534   0.538   0.266  0.00  0.00    -0.266 N 
ATOM     14  N   LIG    1       -2.237   0.688   0.596  0.00  0.00    -0.155 NA
BRANCH  13  15
ATOM     15  C   LIG    1       -4.553   1.220   1.056  0.00  0.00    +0.147 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.756   2.636   0.605  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1       -5.872   3.007  -0.340  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -5.942   3.424   1.103  0.00  0.00    +0.005 C 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1   3
BRANCH   1  21
ATOM     19  C   LIG    1        3.261   0.472   0.787  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1        2.165   0.021   0.034  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1        0.843   0.259   0.446  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        0.652   0.979   1.630  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        1.737   1.444   2.382  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        3.041   1.194   1.962  0.00  0.00    +0.013 A 
BRANCH  19  27
ATOM     25  N   LIG    1        5.643   0.171   1.214  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1        5.398   0.052   2.189  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1        4.631   0.181   0.279  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1        4.809  -0.060  -0.910  0.00  0.00    -0.270 OA
BRANCH  25  29
ATOM     29  C   LIG    1        6.981  -0.273   0.859  0.00  0.00    +0.132 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.006   0.192   1.891  0.00  0.00    +0.178 C 
BRANCH  30  32
ATOM     31  C   LIG    1        8.596   0.035   4.170  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1        7.667  -0.362   3.168  0.00  0.00    -0.381 OA
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  19  27
ENDBRANCH   1  21
TORSDOF 8