REMARK  Name = BDB006678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.103  -0.288   0.416  0.00  0.00    -0.238 N 
ATOM      2  C   LIG    1       -1.174   0.730   0.674  0.00  0.00    +0.147 C 
ATOM      3  C   LIG    1       -2.381  -0.114   0.677  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -3.771  -0.105   0.841  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -4.270  -1.351   0.707  0.00  0.00    -0.175 NA
ATOM      6  N   LIG    1       -3.189  -2.127   0.447  0.00  0.00    -0.256 N 
ATOM      7  C   LIG    1       -4.668   1.042   1.112  0.00  0.00    +0.068 C 
ATOM      8  C   LIG    1       -2.052  -1.413   0.440  0.00  0.00    +0.130 A 
ATOM      9  C   LIG    1       -0.662  -1.599   0.263  0.00  0.00    +0.271 C 
ATOM     10  O   LIG    1       -0.098  -2.653   0.040  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        3.569  -0.510   0.173  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        3.858   0.826   0.537  0.00  0.00    +0.199 A 
ATOM     13  N   LIG    1        2.800   1.656   0.812  0.00  0.00    -0.194 N 
ATOM     14  C   LIG    1        3.363   2.873   1.109  0.00  0.00    +0.152 A 
ATOM     15  N   LIG    1        4.677   2.778   1.031  0.00  0.00    -0.132 NA
ATOM     16  C   LIG    1        2.569   4.070   1.453  0.00  0.00    +0.090 C 
ATOM     17  N   LIG    1        1.476   1.343   0.796  0.00  0.00    -0.148 NA
ATOM     18  C   LIG    1        1.231   0.110   0.465  0.00  0.00    +0.151 A 
ATOM     19  N   LIG    1        4.990   1.487   0.670  0.00  0.00    -0.126 NA
ATOM     20  C   LIG    1        2.284  -0.898   0.129  0.00  0.00    +0.073 A 
BRANCH  11  23
ATOM     21  C   LIG    1        6.120  -3.116  -0.713  0.00  0.00    +0.109 C 
ATOM     22  C   LIG    1        4.715  -2.608  -0.511  0.00  0.00    +0.214 C 
ATOM     23  N   LIG    1        4.673  -1.288  -0.112  0.00  0.00    -0.283 N 
ATOM     24  H   LIG    1        5.565  -0.805  -0.012  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        3.745  -3.339  -0.675  0.00  0.00    -0.276 OA
ENDBRANCH  11  23
ENDBRANCH   1  18
BRANCH   2  26
ATOM     26  C   LIG    1       -1.368   1.743  -0.439  0.00  0.00    -0.022 A 
ATOM     27  C   LIG    1       -1.295   1.397  -1.801  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -1.482   2.363  -2.795  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -1.742   3.683  -2.439  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       -1.970   4.870  -3.662  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1       -1.819   4.048  -1.098  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -1.634   3.084  -0.103  0.00  0.00    +0.007 A 
ENDBRANCH   2  26
BRANCH   6  33
ATOM     33  C   LIG    1       -3.280  -3.581   0.233  0.00  0.00    +0.108 C 
ATOM     34  C   LIG    1       -2.939  -4.220  -1.093  0.00  0.00    +0.029 C 
ATOM     35  C   LIG    1       -4.362  -4.203  -0.620  0.00  0.00    +0.029 C 
ENDBRANCH   6  33
TORSDOF 4