REMARK  Name = BDB021289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.862  -0.204   0.289  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.173   0.114  -0.920  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.191   0.314  -0.829  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.636   0.659  -2.083  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.480   0.613  -2.885  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.896   0.200   0.382  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.256  -0.057   1.489  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.597   0.274  -2.160  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.109  -0.246   1.412  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.587   0.171  -0.204  0.00  0.00    +0.125 A 
ATOM     11  N   LIG    1        6.091  -0.847   0.513  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        5.223  -1.664   1.145  0.00  0.00    +0.113 A 
ATOM     13  C   LIG    1        3.850  -1.506   1.110  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        3.325  -0.436   0.384  0.00  0.00    -0.008 A 
ATOM     15  C   LIG    1        4.218   0.406  -0.291  0.00  0.00    +0.052 A 
BRANCH  10  18
ATOM     16  C   LIG    1        8.623   0.033  -0.275  0.00  0.00    +0.109 C 
ATOM     17  C   LIG    1        7.787   1.062  -0.984  0.00  0.00    +0.215 C 
ATOM     18  N   LIG    1        6.428   1.046  -0.896  0.00  0.00    -0.271 N 
ATOM     19  H   LIG    1        5.997   1.789  -1.428  0.00  0.00    +0.156 HD
ATOM     20  O   LIG    1        8.319   1.948  -1.660  0.00  0.00    -0.276 OA
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   5  21
ATOM     21  C   LIG    1        0.548   0.885  -4.289  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1        0.574   1.110  -5.428  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -2.259   0.389   0.415  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -2.528   0.533   1.387  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.129  -0.638  -0.149  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.544  -0.146  -0.157  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.378  -0.228   0.955  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.112  -0.740   2.321  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.544  -0.780   2.856  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -7.357   0.140   2.094  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -6.671   0.282   0.916  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.191   0.893  -0.207  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -6.376   0.982  -1.335  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.072   0.469  -1.301  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -4.313   0.580  -2.401  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6