REMARK  Name = BDB033572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.966   0.515   1.690  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -0.375   0.257   1.317  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -0.890   1.504   1.038  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -2.204   1.739   0.641  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -3.069   0.624   0.533  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -2.576  -0.675   0.798  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -3.402  -1.937   0.683  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1       -2.993  -2.807  -0.511  0.00  0.00    +0.008 C 
ATOM      9  C   LIG    1       -1.509  -2.771  -0.883  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -0.541  -2.932   0.292  0.00  0.00    +0.229 C 
ATOM     11  O   LIG    1       -0.757  -2.117   1.453  0.00  0.00    -0.491 OA
ATOM     12  O   LIG    1        0.080   2.440   1.211  0.00  0.00    -0.353 OA
ATOM     13  C   LIG    1       -1.218  -0.852   1.169  0.00  0.00    +0.138 A 
ATOM     14  N   LIG    1        1.250   1.819   1.617  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  15
ATOM     15  N   LIG    1        1.872  -0.470   2.051  0.00  0.00    -0.196 N 
ATOM     16  H   LIG    1        1.602  -1.447   1.965  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.497  -0.216   2.330  0.00  0.00    +0.082 S 
ATOM     18  O   LIG    1        4.100  -1.534   2.392  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1        3.587   0.672   3.471  0.00  0.00    -0.150 OA
BRANCH  17  21
ATOM     20  C   LIG    1        4.900   1.712   0.928  0.00  0.00    +0.153 A 
ATOM     21  C   LIG    1        4.111   0.563   0.882  0.00  0.00    +0.211 A 
ATOM     22  C   LIG    1        3.819   0.028  -0.364  0.00  0.00    +0.246 A 
ATOM     23  N   LIG    1        4.241   0.586  -1.529  0.00  0.00    -0.219 NA
ATOM     24  C   LIG    1        5.002   1.696  -1.449  0.00  0.00    +0.118 A 
ATOM     25  C   LIG    1        5.365   2.284  -0.255  0.00  0.00    +0.067 A 
BRANCH  20  27
ATOM     26  C   LIG    1        4.657   3.454   2.424  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        5.344   2.241   2.108  0.00  0.00    -0.493 OA
ENDBRANCH  20  27
BRANCH  22  28
ATOM     28  O   LIG    1        3.059  -1.121  -0.447  0.00  0.00    -0.478 OA
ATOM     29  C   LIG    1        2.952  -1.642  -1.769  0.00  0.00    +0.279 C 
ENDBRANCH  22  28
ENDBRANCH  17  21
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   5  30
ATOM     30  C   LIG    1       -4.497   0.903   0.107  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -4.677   0.767  -1.332  0.00  0.00    -0.267 N 
ATOM     32  N   LIG    1       -4.175   1.701  -2.169  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1       -4.555   1.281  -3.378  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1       -5.321   0.104  -3.321  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1       -5.400  -0.196  -1.981  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 7