REMARK  Name = BDB014482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.439   1.719  -0.857  0.00  0.00    +0.254 C 
ATOM      2  N   LIG    1       -0.715   0.542  -0.799  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.188  -0.334  -0.999  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.035   2.759  -0.342  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.524   1.389  -3.095  0.00  0.00    +0.062 C 
ATOM      6  C   LIG    1       -2.782   1.593  -1.606  0.00  0.00    +0.256 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -3.571   2.779  -1.474  0.00  0.00    -0.478 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -4.457   2.703  -0.421  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1       -5.584   1.867  -0.458  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1       -6.456   1.916   0.653  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -7.594   1.098   0.645  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -7.846   0.268  -0.440  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -6.943   0.278  -1.483  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -6.191   2.772   1.738  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -5.070   3.599   1.733  0.00  0.00    +0.004 A 
ATOM     16  N   LIG    1       -5.831   1.043  -1.507  0.00  0.00    -0.251 NA
ATOM     17  C   LIG    1       -4.207   3.573   0.645  0.00  0.00    +0.048 A 
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   2  18
ATOM     18  C   LIG    1        0.509   0.455  -0.017  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.177  -0.915  -0.200  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        0.213  -1.944   0.104  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -0.033  -1.845   1.042  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.420  -1.095   0.700  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.481  -0.095   0.506  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        4.527  -0.208   1.543  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.488  -1.363   1.354  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        5.699  -1.926   0.082  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        6.623  -2.968  -0.073  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.344  -3.440   1.023  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.151  -2.872   2.280  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.887  -1.456  -1.101  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        6.232  -1.835   2.445  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.123  -0.153  -0.819  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8