REMARK  Name = BDB061869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.178   0.259  -0.854  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.300   0.327  -1.054  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.813   0.955  -2.199  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        2.187   1.026  -2.429  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        3.075   0.484  -1.499  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.607  -0.131  -0.334  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.058   1.540  -3.120  0.00  0.00    -0.322 N 
ATOM      8  H   LIG    1        0.296   2.011  -3.941  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -1.411   1.558  -2.960  0.00  0.00    +0.251 A 
ATOM     10  O   LIG    1       -2.159   2.111  -3.759  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        1.219  -0.194  -0.124  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -1.952   0.866  -1.770  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.623  -0.451   0.263  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1       -1.175  -1.370   0.265  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.011  -0.615   0.737  0.00  0.00    +0.160 C 
BRANCH  15  19
ATOM     16  C   LIG    1       -6.022  -1.683  -1.410  0.00  0.00    +0.128 C 
ATOM     17  N   LIG    1       -5.132  -0.962  -0.534  0.00  0.00    -0.317 N 
ATOM     18  H   LIG    1       -5.531  -0.256   0.070  0.00  0.00    +0.148 HD
ATOM     19  C   LIG    1       -3.858  -1.428  -0.276  0.00  0.00    +0.233 C 
ATOM     20  O   LIG    1       -3.415  -2.449  -0.807  0.00  0.00    -0.274 OA
ENDBRANCH  15  19
BRANCH  15  21
ATOM     21  C   LIG    1       -3.569   0.719   1.182  0.00  0.00    +0.018 C 
ATOM     22  C   LIG    1       -3.050   1.372   2.442  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -4.449   0.826   2.407  0.00  0.00    +0.006 C 
ENDBRANCH  15  21
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  24
ATOM     24  N   LIG    1        3.466  -0.639   0.661  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1        3.044  -1.396   1.196  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1        4.793  -0.306   1.017  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1        5.662  -1.264   1.574  0.00  0.00    +0.110 A 
ATOM     28  C   LIG    1        6.966  -0.880   1.857  0.00  0.00    +0.148 A 
ATOM     29 CL   LIG    1        8.136  -1.945   2.541  0.00  0.00    -0.061 Cl
ATOM     30  N   LIG    1        7.464   0.357   1.633  0.00  0.00    -0.242 NA
ATOM     31  C   LIG    1        6.620   1.259   1.101  0.00  0.00    +0.114 A 
ATOM     32  C   LIG    1        5.303   0.977   0.778  0.00  0.00    +0.044 A 
BRANCH  27  33
ATOM     33  C   LIG    1        5.218  -2.595   1.842  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1        4.801  -3.656   2.060  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 7