REMARK  Name = BDB006907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.505  -0.042   1.150  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.245  -0.514   0.084  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.639  -0.374  -0.064  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        2.060  -0.973  -1.245  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.398  -0.938  -1.562  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        4.315  -0.342  -0.770  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        3.886   0.242   0.383  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        0.924  -1.617  -1.988  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        1.052  -3.144  -1.960  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.815  -1.115  -3.430  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.549   0.240   0.775  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.287  -1.148  -1.138  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.032   0.547   2.127  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        4.925   0.889   1.266  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1        5.861   1.851   0.533  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1        6.997   2.044   1.528  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1        7.147   0.698   2.234  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1        5.896  -0.113   1.895  0.00  0.00    +0.010 C 
ENDBRANCH   7  14
BRANCH   1  19
ATOM     19  C   LIG    1       -2.020  -0.316   1.113  0.00  0.00    +0.181 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.134   0.059  -0.120  0.00  0.00    +0.097 C 
ATOM     21  N   LIG    1       -2.702   0.427   0.031  0.00  0.00    -0.286 NA
ATOM     22  C   LIG    1       -2.617   1.899   0.217  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1       -3.764   2.583   1.031  0.00  0.00    +0.065 C 
ATOM     24  C   LIG    1       -4.686   3.415   0.134  0.00  0.00    +0.025 C 
ATOM     25  N   LIG    1       -4.564   1.657   1.852  0.00  0.00    -0.311 NA
ATOM     26  H   LIG    1       -3.965   1.322   2.606  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -5.030   0.486   1.081  0.00  0.00    +0.102 C 
BRANCH  20  28
ATOM     28  C   LIG    1       -4.377  -1.423  -0.488  0.00  0.00    +0.179 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -6.014  -2.953  -1.231  0.00  0.00    +0.194 C 
ATOM     30  O   LIG    1       -5.745  -1.607  -0.862  0.00  0.00    -0.381 OA
ENDBRANCH  28  30
ENDBRANCH  20  28
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 5