REMARK  Name = BDB007860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.208   0.138   0.243  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        0.749  -0.032   1.491  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1       -0.565  -0.291   1.656  0.00  0.00    +0.239 A 
ATOM      4  O   LIG    1       -0.934  -0.462   2.963  0.00  0.00    -0.466 OA
ATOM      5  C   LIG    1       -1.988  -1.399   3.071  0.00  0.00    +0.327 C 
ATOM      6  C   LIG    1       -3.199  -1.136   2.183  0.00  0.00    +0.262 C 
ATOM      7  N   LIG    1       -2.871  -0.631   0.915  0.00  0.00    -0.232 N 
ATOM      8  O   LIG    1       -4.334  -1.399   2.582  0.00  0.00    -0.271 OA
ATOM      9  C   LIG    1       -1.499  -0.356   0.619  0.00  0.00    +0.103 A 
ATOM     10  C   LIG    1       -0.990  -0.206  -0.672  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        0.370   0.052  -0.862  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -3.893  -0.346  -0.044  0.00  0.00    +0.042 A 
ATOM     13  C   LIG    1       -4.974  -1.223  -0.220  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -5.987  -0.944  -1.144  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -5.938   0.227  -1.893  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -7.181   0.572  -3.030  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -4.889   1.125  -1.720  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -3.877   0.843  -0.796  0.00  0.00    +0.025 A 
ENDBRANCH   7  12
BRANCH   1  20
ATOM     19  C   LIG    1        3.571   0.439   0.935  0.00  0.00    +0.235 C 
ATOM     20  N   LIG    1        2.553   0.409   0.001  0.00  0.00    -0.269 N 
ATOM     21  H   LIG    1        2.874   0.514  -0.956  0.00  0.00    +0.156 HD
ATOM     22  O   LIG    1        3.491   0.223   2.140  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1        4.912   0.859   0.296  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1        5.004   2.383   0.316  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     25  C   LIG    1        5.293  -1.045  -1.169  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1        4.998   0.389  -1.119  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1        5.778   0.878  -1.564  0.00  0.00    +0.122 HD
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 4