REMARK  Name = BDB049530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.539   1.171   0.575  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.633   0.407   0.277  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        2.498   0.971  -0.663  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        3.658   0.299  -1.059  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        3.968  -0.948  -0.511  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        3.096  -1.518   0.422  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        1.935  -0.842   0.817  0.00  0.00    +0.046 A 
BRANCH   5   8
ATOM      8  C   LIG    1        5.167  -1.686  -0.920  0.00  0.00    +0.028 C 
ATOM      9  C   LIG    1        6.434  -1.311  -0.706  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        7.583  -2.143  -1.151  0.00  0.00    +0.258 C 
ATOM     11  O   LIG    1        7.500  -3.209  -1.739  0.00  0.00    -0.269 OA
ATOM     12  N   LIG    1        8.753  -1.538  -0.801  0.00  0.00    -0.243 N 
ATOM     13  H   LIG    1        9.642  -1.959  -1.017  0.00  0.00    +0.159 HD
ATOM     14  C   LIG    1        8.689  -0.359  -0.133  0.00  0.00    +0.283 C 
ATOM     15  O   LIG    1        9.642   0.294   0.256  0.00  0.00    -0.262 OA
ATOM     16  S   LIG    1        7.015   0.100   0.099  0.00  0.00    -0.026 S 
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.387   0.645   1.531  0.00  0.00    +0.248 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.539   1.645   1.724  0.00  0.00    +0.148 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.491   1.617   0.610  0.00  0.00    -0.307 N 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.510   0.708   0.511  0.00  0.00    +0.162 A 
ATOM     21  S   LIG    1       -3.893  -0.452   1.742  0.00  0.00    -0.052 S 
ATOM     22  C   LIG    1       -5.188  -1.069   0.802  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -5.254  -0.355  -0.391  0.00  0.00    +0.080 A 
ATOM     24  C   LIG    1       -6.252  -0.691  -1.329  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1       -7.150  -1.725  -1.049  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -7.066  -2.425   0.151  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.084  -2.110   1.096  0.00  0.00    +0.017 A 
ATOM     28  N   LIG    1       -4.306   0.639  -0.536  0.00  0.00    -0.225 NA
ENDBRANCH  19  20
BRANCH  19  30
ATOM     29  C   LIG    1       -3.111   3.750  -0.430  0.00  0.00    +0.024 C 
ATOM     30  C   LIG    1       -2.235   2.509  -0.521  0.00  0.00    +0.104 C 
ENDBRANCH  19  30
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 7