REMARK  Name = BDB042508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.765   0.397  -0.275  0.00  0.00    -0.041 C 
ATOM      2  C   LIG    1        2.606  -0.525  -0.004  0.00  0.00    +0.054 C 
ATOM      3  C   LIG    1        1.418  -0.231  -0.923  0.00  0.00    +0.113 C 
ATOM      4  N   LIG    1        1.129   1.203  -0.988  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -0.151   1.733  -1.128  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.339   2.904  -1.462  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        2.233   2.071  -1.386  0.00  0.00    +0.135 C 
ATOM      8  C   LIG    1        3.563   1.568  -0.907  0.00  0.00    -0.004 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        7.662  -0.823   1.066  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        7.498  -0.276  -0.209  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        6.229   0.125  -0.643  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.107  -0.011   0.189  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1        5.285  -0.568   1.463  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        6.552  -0.969   1.901  0.00  0.00    +0.019 A 
BRANCH   9  16
ATOM     15  N   LIG    1       10.011  -1.569   1.875  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        8.960  -1.235   1.513  0.00  0.00    +0.099 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.318   0.806  -0.836  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.659   1.536  -0.932  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.815   0.629  -0.593  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1       -4.156  -0.326  -1.523  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -3.650  -0.389  -2.399  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -5.183  -1.238  -1.389  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1       -5.406  -2.058  -2.271  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.971  -1.158  -0.136  0.00  0.00    +0.082 A 
ATOM     25  C   LIG    1       -5.630  -0.178   0.810  0.00  0.00    -0.008 A 
ATOM     26  C   LIG    1       -6.364  -0.083   2.000  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -7.426  -0.957   2.243  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -7.758  -1.928   1.300  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -7.032  -2.026   0.115  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1       -7.386  -2.975  -0.762  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -4.513   0.734   0.549  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5