REMARK  Name = BDB049852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.097  -0.307   0.368  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        1.368  -0.245  -0.286  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        2.344  -0.209   0.712  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        3.714  -0.141   0.434  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1        4.102  -0.108  -0.909  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        3.156  -0.142  -1.929  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        1.688  -0.257   1.921  0.00  0.00    -0.360 N 
ATOM      8  H   LIG    1        2.146  -0.251   2.821  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1        1.789  -0.209  -1.633  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        0.333  -0.333   1.724  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   1  15
ATOM     11  O   LIG    1       -5.287   1.775   1.674  0.00  0.00    -0.262 OA
ATOM     12  C   LIG    1       -4.439   1.182   1.030  0.00  0.00    +0.283 C 
ATOM     13  S   LIG    1       -2.760   1.039   1.501  0.00  0.00    -0.026 S 
ATOM     14  C   LIG    1       -2.360   0.109   0.105  0.00  0.00    +0.080 C 
ATOM     15  C   LIG    1       -1.175  -0.386  -0.281  0.00  0.00    +0.030 C 
ATOM     16  C   LIG    1       -3.575  -0.073  -0.734  0.00  0.00    +0.258 C 
ATOM     17  O   LIG    1       -3.622  -0.675  -1.795  0.00  0.00    -0.269 OA
ATOM     18  N   LIG    1       -4.641   0.536  -0.145  0.00  0.00    -0.243 N 
ATOM     19  H   LIG    1       -5.552   0.519  -0.573  0.00  0.00    +0.159 HD
ENDBRANCH   1  15
TORSDOF 1