REMARK  Name = BDB021489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.148  -0.945  -1.435  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        3.362   0.175  -1.690  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        1.978   0.072  -1.958  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1        1.444   1.308  -2.182  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.133   1.387  -2.712  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.875   0.822  -1.731  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -1.108  -0.588  -1.995  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -0.088  -1.520  -2.169  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -0.363  -2.683  -2.472  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.358  -1.183  -1.952  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        2.173  -2.309  -1.694  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.542  -2.193  -1.440  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        5.485  -0.961  -1.165  0.00  0.00    -0.487 OA
BRANCH  13  18
ATOM     14  C   LIG    1        6.379   1.631   2.997  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        7.372   0.727   2.313  0.00  0.00    +0.213 C 
ATOM     16  N   LIG    1        7.183   0.524   0.966  0.00  0.00    -0.298 N 
ATOM     17  C   LIG    1        6.085   1.024   0.146  0.00  0.00    +0.152 C 
ATOM     18  C   LIG    1        6.207   0.276  -1.189  0.00  0.00    +0.192 C 
ATOM     19  C   LIG    1        7.700  -0.061  -1.247  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1        8.048  -0.355   0.205  0.00  0.00    +0.111 C 
ATOM     21  O   LIG    1        8.293   0.207   2.939  0.00  0.00    -0.276 OA
ENDBRANCH  13  18
ENDBRANCH   1  13
BRANCH   7  22
ATOM     22  C   LIG    1       -2.497  -1.069  -2.026  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.926  -1.908  -0.801  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -4.216  -2.485  -1.039  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1       -4.847  -1.755  -1.150  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -2.882  -1.175   0.567  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.967  -0.287   1.017  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -5.119  -1.010   1.579  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -6.244  -0.106   2.045  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -6.307   1.243   1.655  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -7.373   2.044   2.085  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -8.386   1.504   2.876  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.338   0.163   3.248  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.193   1.839   0.835  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -7.274  -0.639   2.834  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1       -4.368   0.771   0.102  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 7