REMARK  Name = BDB014405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.286   1.001  -1.202  0.00  0.00    +0.201 A 
ATOM      2  N   LIG    1        0.074   1.116  -0.965  0.00  0.00    -0.271 N 
ATOM      3  C   LIG    1        0.645   0.294  -1.936  0.00  0.00    +0.176 A 
ATOM      4  N   LIG    1       -0.301  -0.196  -2.716  0.00  0.00    -0.130 NA
ATOM      5  N   LIG    1       -1.507   0.244  -2.255  0.00  0.00    -0.122 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        0.746   1.889   0.023  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        1.897   2.613  -0.315  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        2.566   3.360   0.658  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        2.092   3.390   1.967  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        0.948   2.674   2.308  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        0.274   1.924   1.341  0.00  0.00    +0.026 A 
ENDBRANCH   2   6
BRANCH   1  12
ATOM     12  S   LIG    1       -2.536   1.892  -0.384  0.00  0.00    -0.047 S 
BRANCH  12  19
ATOM     13  C   LIG    1       -5.624  -1.453  -0.179  0.00  0.00    +0.135 A 
ATOM     14  C   LIG    1       -4.470  -1.591   0.637  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1       -3.503  -0.559   0.600  0.00  0.00    +0.087 A 
ATOM     16  N   LIG    1       -2.386  -0.620   1.365  0.00  0.00    -0.254 NA
ATOM     17  C   LIG    1       -2.178  -1.687   2.162  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -3.058  -2.737   2.266  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -3.730   0.546  -0.250  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1       -4.893   0.659  -1.030  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -4.215  -2.685   1.501  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -5.849  -0.343  -0.997  0.00  0.00    +0.034 A 
BRANCH  13  24
ATOM     23  O   LIG    1       -7.784  -2.140   0.181  0.00  0.00    -0.126 OA
ATOM     24  N   LIG    1       -6.651  -2.480  -0.184  0.00  0.00    +0.057 N 
ATOM     25  O   LIG    1       -6.326  -3.611  -0.567  0.00  0.00    -0.126 OA
ENDBRANCH  13  24
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   3  26
ATOM     26  C   LIG    1        2.084  -0.080  -2.042  0.00  0.00    +0.305 C 
BRANCH  26  27
ATOM     27  O   LIG    1        2.523  -0.488  -0.748  0.00  0.00    -0.484 OA
BRANCH  27  28
ATOM     28  C   LIG    1        3.876  -0.590  -0.577  0.00  0.00    +0.121 A 
ATOM     29  C   LIG    1        4.314  -0.482   0.745  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1        5.672  -0.575   1.050  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        6.599  -0.788   0.032  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.165  -0.910  -1.287  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        4.805  -0.815  -1.593  0.00  0.00    +0.045 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 7