REMARK  Name = BDB006905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.206   0.436  -0.979  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.530   0.520   0.195  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.921   0.325   0.309  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        2.323   0.492   1.627  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.654   0.336   1.935  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        4.580   0.026   1.003  0.00  0.00    -0.255 NA
ATOM      7  C   LIG    1        4.173  -0.130  -0.289  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1        1.177   0.863   2.525  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        1.315   2.311   3.011  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.040  -0.090   3.716  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.842   0.014  -0.674  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -0.020   0.719   1.550  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1        0.286   0.196  -2.086  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        5.228  -0.462  -1.258  0.00  0.00    -0.026 C 
ATOM     15  C   LIG    1        4.985  -0.591  -2.731  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1        6.399  -0.625  -3.313  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        7.318  -1.045  -2.170  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1        6.513  -0.710  -0.962  0.00  0.00    -0.021 C 
ENDBRANCH   7  14
BRANCH   1  19
ATOM     19  C   LIG    1       -1.721   0.697  -0.871  0.00  0.00    +0.181 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.838  -0.056   0.168  0.00  0.00    +0.097 C 
ATOM     21  N   LIG    1       -2.413  -0.377  -0.118  0.00  0.00    -0.286 NA
ATOM     22  C   LIG    1       -2.396  -1.655  -0.878  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1       -3.464  -1.815  -2.011  0.00  0.00    +0.065 C 
ATOM     24  C   LIG    1       -4.402  -2.993  -1.725  0.00  0.00    +0.025 C 
ATOM     25  N   LIG    1       -4.240  -0.602  -2.300  0.00  0.00    -0.311 NA
ATOM     26  H   LIG    1       -5.009  -0.799  -2.938  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -4.737   0.081  -1.097  0.00  0.00    +0.102 C 
BRANCH  20  28
ATOM     28  C   LIG    1       -4.037   1.145   1.118  0.00  0.00    +0.179 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -5.635   2.291   2.423  0.00  0.00    +0.194 C 
ATOM     30  O   LIG    1       -5.406   1.209   1.530  0.00  0.00    -0.381 OA
ENDBRANCH  28  30
ENDBRANCH  20  28
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 5