REMARK  Name = BDB003619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.302  -0.895   0.378  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1        2.728   0.576   0.110  0.00  0.00    -0.325 N 
ATOM      3  C   LIG    1        1.662   1.569   0.358  0.00  0.00    +0.120 C 
ATOM      4  C   LIG    1        0.259   0.980   0.074  0.00  0.00    +0.104 C 
ATOM      5  N   LIG    1       -0.061  -0.239   0.852  0.00  0.00    -0.290 NA
ATOM      6  C   LIG    1        1.132  -1.082   1.043  0.00  0.00    +0.104 C 
ATOM      7  C   LIG    1        2.287  -0.826   0.043  0.00  0.00    +0.120 C 
BRANCH   2   9
ATOM      8  C   LIG    1        4.502   2.249  -0.286  0.00  0.00    +0.141 A 
ATOM      9  C   LIG    1        3.884   1.002  -0.548  0.00  0.00    +0.072 A 
ATOM     10  C   LIG    1        4.524   0.196  -1.508  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        5.663   0.624  -2.206  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        6.205   1.879  -1.961  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        5.623   2.697  -1.001  0.00  0.00    +0.047 A 
BRANCH   8  15
ATOM     14  C   LIG    1        4.553   2.720   1.955  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        4.029   3.104   0.685  0.00  0.00    -0.493 OA
ENDBRANCH   8  15
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -1.146  -1.737  -0.891  0.00  0.00    +0.008 A 
ATOM     17  S   LIG    1       -1.741  -1.108  -2.387  0.00  0.00    -0.100 S 
ATOM     18  C   LIG    1       -1.258  -2.495  -3.254  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1       -0.674  -3.436  -2.439  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -0.610  -3.002  -1.082  0.00  0.00    +0.013 A 
ENDBRANCH   1  16
BRANCH   1  21
ATOM     21  C   LIG    1       -2.141  -1.592   1.515  0.00  0.00    +0.095 C 
ATOM     22  C   LIG    1       -1.456  -2.701   2.309  0.00  0.00    +0.027 C 
BRANCH  21  23
ATOM     23  N   LIG    1       -3.402  -2.145   0.977  0.00  0.00    -0.185 NA
ATOM     24  H   LIG    1       -3.383  -2.800   0.199  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  S   LIG    1       -4.885  -1.495   1.375  0.00  0.00    +0.059 S 
ATOM     26  O   LIG    1       -5.874  -2.249   0.635  0.00  0.00    -0.153 OA
ATOM     27  O   LIG    1       -4.943  -1.368   2.815  0.00  0.00    -0.153 OA
BRANCH  25  28
ATOM     28  C   LIG    1       -4.804   0.132   0.671  0.00  0.00    +0.105 A 
ATOM     29  C   LIG    1       -5.008   0.292  -0.703  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -4.938   1.567  -1.262  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -4.678   2.671  -0.450  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.491   2.508   0.924  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -4.559   1.236   1.492  0.00  0.00    +0.028 A 
ENDBRANCH  25  28
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 8