REMARK  Name = BDB006906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.565   0.273   0.266  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.060  -0.737  -0.550  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.286  -0.884  -0.937  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.443  -2.019  -1.722  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        2.696  -2.323  -2.205  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        3.780  -1.560  -1.945  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        3.607  -0.455  -1.164  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        0.153  -2.769  -1.897  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        0.219  -4.144  -1.223  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1       -0.225  -2.915  -3.374  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.370  -0.082  -0.639  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.839  -1.834  -1.156  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1        0.139   1.150   0.770  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.086   0.195   0.531  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.093   1.261   1.412  0.00  0.00    +0.071 C 
ATOM     16  N   LIG    1       -2.669   1.464   1.029  0.00  0.00    -0.288 NA
ATOM     17  C   LIG    1       -2.550   2.565   0.047  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -3.477   2.486  -1.206  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -2.729   2.000  -2.447  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -4.665   1.629  -1.013  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -5.397   1.920  -1.660  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -5.137   1.771   0.370  0.00  0.00    +0.100 C 
BRANCH  15  24
ATOM     23  C   LIG    1       -3.525   1.340   3.909  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.367   1.920   2.780  0.00  0.00    +0.017 C 
ENDBRANCH  15  24
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  25
ATOM     25  C   LIG    1        4.836   0.374  -0.863  0.00  0.00    +0.090 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.384   0.163   0.531  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        5.158   1.109   1.541  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.656   0.900   2.828  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.382  -0.254   3.119  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.607  -1.204   2.123  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.109  -0.998   0.836  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 5