REMARK  Name = BDB000168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.209  -0.003  -0.295  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.448  -1.112  -0.586  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.881  -1.267  -0.007  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.152  -2.771  -0.072  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.347  -3.213  -1.291  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.898  -2.342  -1.217  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.789   0.876   0.468  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.942  -0.488  -0.813  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        3.124  -0.291  -0.129  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        3.154  -0.460   0.869  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        1.786  -0.135  -1.980  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        4.212   0.457  -0.719  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1        5.255   0.772   0.317  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        6.341  -0.107   0.218  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1        7.403  -0.031   1.102  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        7.373   0.956   2.090  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.287   1.840   2.188  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.131  -1.089  -0.891  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        5.213   1.748   1.299  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        5.037  -0.388  -1.712  0.00  0.00    +0.032 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  21
ATOM     21  C   LIG    1       -2.615   0.120  -0.938  0.00  0.00    +0.164 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -4.079  -0.332   0.997  0.00  0.00    +0.230 C 
ATOM     23  N   LIG    1       -3.485   0.583   0.148  0.00  0.00    -0.302 N 
ATOM     24  H   LIG    1       -3.212   1.464   0.569  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1       -4.051  -1.546   0.799  0.00  0.00    -0.274 OA
BRANCH  22  26
ATOM     26  C   LIG    1       -4.734   0.299   2.248  0.00  0.00    +0.137 C 
ATOM     27  C   LIG    1       -3.692   0.301   3.366  0.00  0.00    +0.034 C 
BRANCH  26  29
ATOM     28  C   LIG    1       -6.634  -0.022   3.768  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1       -5.964  -0.452   2.555  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1       -5.734  -1.448   2.603  0.00  0.00    +0.122 HD
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH  21  23
BRANCH  21  31
ATOM     31  C   LIG    1       -2.654   1.081  -2.169  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1       -1.786   0.527  -3.315  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -2.163   2.504  -1.838  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -4.105   1.180  -2.690  0.00  0.00    +0.013 C 
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 7