REMARK  Name = BDB061862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.433  -1.534   0.358  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1        0.050  -1.500   0.279  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.781  -2.623   0.686  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        2.174  -2.629   0.637  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.856  -1.505   0.165  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.160  -0.375  -0.276  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1        0.109  -3.764   1.134  0.00  0.00    -0.322 N 
ATOM      8  H   LIG    1        0.622  -4.588   1.417  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -1.251  -3.860   1.188  0.00  0.00    +0.251 A 
ATOM     10  O   LIG    1       -1.822  -4.877   1.566  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.757  -0.388  -0.209  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -2.021  -2.667   0.778  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1       -5.598   1.701   0.962  0.00  0.00    +0.105 C 
ATOM     14  N   LIG    1       -4.537   1.461  -0.013  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1       -4.559   0.053  -0.469  0.00  0.00    +0.103 C 
ATOM     16  C   LIG    1       -3.206  -0.431  -1.028  0.00  0.00    +0.120 C 
ATOM     17  N   LIG    1       -2.135  -0.376   0.002  0.00  0.00    -0.327 N 
ATOM     18  C   LIG    1       -2.363   0.658   1.047  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1       -3.207   1.835   0.513  0.00  0.00    +0.103 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  N   LIG    1        2.803   0.793  -0.735  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        2.237   1.311  -1.404  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.094   1.312  -0.489  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1        4.772   2.075  -1.458  0.00  0.00    +0.110 A 
ATOM     24  C   LIG    1        6.056   2.517  -1.163  0.00  0.00    +0.148 A 
ATOM     25 CL   LIG    1        7.003   3.459  -2.252  0.00  0.00    -0.061 Cl
ATOM     26  N   LIG    1        6.704   2.263  -0.004  0.00  0.00    -0.242 NA
ATOM     27  C   LIG    1        6.041   1.533   0.910  0.00  0.00    +0.114 A 
ATOM     28  C   LIG    1        4.761   1.042   0.713  0.00  0.00    +0.044 A 
BRANCH  23  29
ATOM     29  C   LIG    1        4.163   2.388  -2.711  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        3.617   2.631  -3.706  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 4