REMARK  Name = BDB023675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.441  -0.376   0.034  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.851  -1.519   0.528  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.218  -2.201  -0.195  0.00  0.00    +0.140 C 
ATOM      4  C   LIG    1        0.329  -3.570   0.470  0.00  0.00    +0.062 C 
ATOM      5  C   LIG    1       -0.122  -3.328   1.910  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.105  -2.155   1.818  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -1.008   0.164  -0.994  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.477  -1.341  -0.072  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        1.714  -0.320  -0.965  0.00  0.00    -0.316 N 
ATOM     10  H   LIG    1        0.868   0.162  -1.283  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1        2.800   0.504  -0.425  0.00  0.00    +0.134 C 
ATOM     12  C   LIG    1        2.227   1.816   0.117  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        3.235  -0.408   0.766  0.00  0.00    +0.265 C 
ATOM     14  O   LIG    1        4.189  -0.214   1.506  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1        2.328  -1.452   0.912  0.00  0.00    -0.166 NA
BRANCH  11  16
ATOM     16  C   LIG    1        3.898   0.739  -1.457  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1        5.141   1.275  -1.065  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        6.153   1.518  -1.999  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        5.935   1.237  -3.343  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1        7.300   1.567  -4.607  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        4.715   0.716  -3.762  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        3.705   0.472  -2.826  0.00  0.00    +0.007 A 
ENDBRANCH  11  16
ENDBRANCH   3   8
BRANCH   5  23
ATOM     23  O   LIG    1        0.979  -3.026   2.758  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1        1.571  -2.390   2.302  0.00  0.00    +0.210 HD
ENDBRANCH   5  23
BRANCH   1  25
ATOM     25  C   LIG    1       -2.652   0.231   0.791  0.00  0.00    +0.164 C 
BRANCH  25  28
ATOM     26  C   LIG    1       -1.310   3.682   1.619  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1       -1.617   2.222   1.812  0.00  0.00    +0.211 C 
ATOM     28  N   LIG    1       -2.408   1.678   0.825  0.00  0.00    -0.304 N 
ATOM     29  H   LIG    1       -2.373   2.141  -0.076  0.00  0.00    +0.149 HD
ATOM     30  O   LIG    1       -1.178   1.579   2.759  0.00  0.00    -0.276 OA
ENDBRANCH  25  28
BRANCH  25  31
ATOM     31  C   LIG    1       -4.028  -0.109   0.129  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1       -5.159   0.573   0.931  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -4.125   0.363  -1.335  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -4.287  -1.627   0.161  0.00  0.00    +0.013 C 
ENDBRANCH  25  31
ENDBRANCH   1  25
TORSDOF 6