REMARK  Name = BDB056411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.520  -1.282   1.272  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1        0.818  -0.917   1.096  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1        1.805  -1.109   2.048  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1        3.018  -0.664   1.606  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1        2.797  -0.193   0.394  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1        1.570  -1.670   3.253  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        0.277  -2.020   3.446  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1        1.479  -0.329   0.050  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1        1.044  -0.051  -0.816  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -0.769  -1.857   2.534  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1       -2.346  -2.366   3.030  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.898   0.425  -0.505  0.00  0.00    +0.058 A 
ATOM     13  C   LIG    1        3.837   0.973  -1.809  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        2.672   1.119  -2.713  0.00  0.00    +0.068 C 
ATOM     15  N   LIG    1        5.043   1.399  -2.215  0.00  0.00    -0.176 NA
ATOM     16  N   LIG    1        5.854   1.125  -1.175  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1        7.254   1.459  -1.259  0.00  0.00    +0.172 C 
ATOM     18  C   LIG    1        5.215   0.541  -0.126  0.00  0.00    +0.119 A 
ENDBRANCH   5  12
BRANCH   1  21
ATOM     19  C   LIG    1       -3.568  -0.286  -0.420  0.00  0.00    +0.092 C 
ATOM     20  C   LIG    1       -2.360   0.067   0.467  0.00  0.00    +0.127 C 
ATOM     21  N   LIG    1       -1.412  -1.042   0.239  0.00  0.00    -0.325 N 
ATOM     22  C   LIG    1       -2.131  -2.196  -0.328  0.00  0.00    +0.107 C 
ATOM     23  C   LIG    1       -3.607  -1.804  -0.327  0.00  0.00    +0.042 C 
BRANCH  19  26
ATOM     24  C   LIG    1       -6.309   2.199   0.377  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1       -5.016   1.681  -0.191  0.00  0.00    +0.210 C 
ATOM     26  N   LIG    1       -4.815   0.332  -0.006  0.00  0.00    -0.311 N 
ATOM     27  H   LIG    1       -5.397  -0.151   0.667  0.00  0.00    +0.149 HD
ATOM     28  O   LIG    1       -4.206   2.412  -0.751  0.00  0.00    -0.276 OA
ENDBRANCH  19  26
ENDBRANCH   1  21
TORSDOF 3