REMARK  Name = BDB031394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.592  -0.693   0.670  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1        2.244  -2.106   0.441  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.884  -2.426   1.101  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.248  -1.663   0.527  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.202  -0.356  -0.005  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.452   0.252   0.676  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.427   0.756  -0.179  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        5.681   1.438   0.713  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        4.449   0.941   0.981  0.00  0.00    +0.151 A 
ATOM     10 CL   LIG    1        3.681   1.856   2.231  0.00  0.00    -0.060 Cl
ATOM     11  C   LIG    1        3.871  -0.210   0.398  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1        4.713  -0.880  -0.505  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        5.992  -0.403  -0.803  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.417   1.892  -2.204  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.185   1.262  -1.799  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.475   1.124  -2.505  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.788   1.309  -0.469  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.486   1.780   0.421  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.324  -1.534   1.522  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.643  -1.090   0.923  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.336   0.006   1.462  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.558   0.396   0.913  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1       -5.111  -0.304  -0.176  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1       -6.389   0.170  -0.682  0.00  0.00    +0.138 A 
ATOM     25  O   LIG    1       -7.021  -0.432  -1.757  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -8.306   0.241  -1.786  0.00  0.00    +0.234 C 
ATOM     27  C   LIG    1       -8.251   1.483  -0.887  0.00  0.00    +0.085 C 
ATOM     28  C   LIG    1       -7.006   1.218  -0.156  0.00  0.00    +0.062 A 
ATOM     29  C   LIG    1       -6.452   1.960   0.978  0.00  0.00    +0.256 A 
ATOM     30  O   LIG    1       -7.030   2.925   1.462  0.00  0.00    -0.267 OA
ATOM     31  C   LIG    1       -4.430  -1.398  -0.708  0.00  0.00    +0.014 A 
ATOM     32  N   LIG    1       -5.246   1.501   1.454  0.00  0.00    -0.322 N 
ATOM     33  H   LIG    1       -4.857   2.010   2.236  0.00  0.00    +0.169 HD
ATOM     34  C   LIG    1       -3.206  -1.789  -0.159  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4