REMARK  Name = BDB014427
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.155  -0.798   1.847  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.304  -0.094   1.025  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.686   0.196   0.129  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.763  -1.456   2.809  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.637  -0.688   1.486  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.820  -0.011   0.245  0.00  0.00    -0.483 OA
BRANCH   6  10
ATOM      7  C   LIG    1        6.659   0.645  -1.284  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        5.503   1.088  -1.938  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        4.240   0.846  -1.390  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        4.108   0.160  -0.181  0.00  0.00    +0.121 A 
ATOM     11  C   LIG    1        5.256  -0.282   0.474  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        6.524  -0.040  -0.075  0.00  0.00    +0.027 A 
BRANCH   7  15
ATOM     13  C   LIG    1       10.240   1.051  -2.388  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        9.158   0.578  -1.451  0.00  0.00    +0.214 C 
ATOM     15  N   LIG    1        7.896   0.926  -1.899  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1        7.850   1.433  -2.775  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        9.435  -0.052  -0.437  0.00  0.00    -0.276 OA
ENDBRANCH   7  15
ENDBRANCH   6  10
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1       -1.139  -0.218   1.141  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.655  -1.510   0.494  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.665  -1.344  -0.936  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -2.580  -1.058  -1.143  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -3.068  -1.933   0.957  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.148  -1.160   0.297  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.514   0.037   1.088  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.716   0.781   0.546  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.651   0.135  -0.280  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.774   0.834  -0.744  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.982   2.160  -0.365  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.071   2.797   0.473  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.409  -1.285  -0.718  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -5.945   2.111   0.929  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -5.355  -1.998   0.141  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 9