REMARK  Name = BDB063924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.609   0.164   0.936  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        1.383   1.414   1.399  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        0.561   1.757   1.861  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        2.500   2.161   1.210  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.694   3.323   1.505  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        3.421   1.195   0.553  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        4.652   1.546   0.161  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        2.789  -0.024   0.425  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        5.640   0.687  -0.512  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.773  -0.678  -0.212  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.760  -1.428  -0.877  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        7.621  -0.853  -1.813  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        8.542  -1.715  -2.386  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.378  -2.919  -1.890  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        7.491   0.521  -2.092  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.139  -3.103  -0.723  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        6.509   1.275  -1.437  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        0.672  -0.815   1.004  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1        0.977  -1.659   0.526  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -0.774  -0.600   1.006  0.00  0.00    +0.099 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.440  -1.901   1.509  0.00  0.00    +0.027 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -3.465  -3.255   2.120  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1       -2.972  -1.874   1.675  0.00  0.00    -0.015 C 
ATOM     24  C   LIG    1       -3.434  -0.818   2.679  0.00  0.00    +0.007 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  C   LIG    1       -1.248  -0.189  -0.404  0.00  0.00    +0.182 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -2.515   0.461  -0.316  0.00  0.00    -0.373 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -3.010   0.845  -1.599  0.00  0.00    +0.195 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.387   1.440  -1.453  0.00  0.00    -0.022 A 
ATOM     29  C   LIG    1       -4.677   2.343  -0.420  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1       -5.945   2.916  -0.309  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.936   2.600  -1.236  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.658   1.714  -2.275  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.390   1.140  -2.386  0.00  0.00    +0.006 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  20  25
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 9