REMARK  Name = BDB033990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.739  -0.097   1.370  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        0.353   1.915   0.393  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.059   0.606   0.271  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1       -0.124   0.211  -0.658  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        0.245   2.562   1.427  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        1.427   3.895  -0.738  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        0.952   2.461  -0.888  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -2.216   0.310   1.507  0.00  0.00    +0.086 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.019   0.033   0.272  0.00  0.00    +0.081 A 
ATOM     10  S   LIG    1       -3.634   1.324  -0.678  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1       -4.370   0.191  -1.746  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1       -4.083  -1.101  -1.303  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1       -4.586  -2.198  -2.031  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -5.362  -1.975  -3.174  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -5.633  -0.677  -3.592  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1       -6.590  -0.424  -5.001  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -5.145   0.430  -2.893  0.00  0.00    +0.037 A 
ATOM     18  N   LIG    1       -3.309  -1.176  -0.158  0.00  0.00    -0.244 NA
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  C   LIG    1       -0.546  -1.624   1.235  0.00  0.00    +0.126 C 
BRANCH  19  20
ATOM     20  N   LIG    1        0.861  -1.989   1.325  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        1.443  -1.758   0.529  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        1.492  -2.026   2.554  0.00  0.00    +0.217 C 
ATOM     23  O   LIG    1        0.883  -1.989   3.621  0.00  0.00    -0.275 OA
BRANCH  22  24
ATOM     24  C   LIG    1        3.005  -2.154   2.484  0.00  0.00    +0.130 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.663  -1.084   1.642  0.00  0.00    -0.039 A 
ATOM     26  C   LIG    1        3.468   0.273   1.939  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.068   1.262   1.159  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.872   0.905   0.079  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.084  -0.441  -0.217  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.486  -1.433   0.562  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 8