REMARK  Name = BDB013994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.138  -0.913   0.430  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.413  -0.943  -0.923  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -0.960  -0.505  -1.943  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.936  -1.321  -0.889  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        1.220  -2.728  -0.770  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.752  -3.484   0.323  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        1.056  -4.860   0.396  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        1.811  -5.487  -0.591  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        2.280  -4.748  -1.665  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.005  -2.883   1.479  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1        1.990  -3.384  -1.751  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -1.334  -2.284   1.049  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -3.048   0.485   1.179  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -2.426  -0.258   0.202  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1       -2.679  -0.110  -0.771  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -2.662   0.499   2.346  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -4.246   1.327   0.694  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -5.333   0.432   0.104  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -2.957   3.344   0.249  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -3.828   2.321  -0.321  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -3.348   1.862  -1.092  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1        1.800  -0.521  -1.765  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.844   0.943  -1.331  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1        2.476   1.365  -0.125  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1        2.443   2.742   0.234  0.00  0.00    -0.000 A 
ATOM     26  C   LIG    1        3.071   3.144   1.439  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        3.713   2.232   2.275  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        3.746   0.892   1.929  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        1.782   3.659  -0.623  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1        1.169   3.226  -1.802  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        3.137   0.467   0.747  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1        1.199   1.883  -2.152  0.00  0.00    +0.007 A 
BRANCH  29  33
ATOM     33  C   LIG    1        1.709   5.062  -0.316  0.00  0.00    +0.100 C 
ATOM     34  N   LIG    1        1.646   6.196  -0.075  0.00  0.00    -0.191 NA
ENDBRANCH  29  33
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6