REMARK  Name = BDB053347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.788  -0.101  -0.476  0.00  0.00    -0.244 N 
ATOM      2  C   LIG    1       -1.852   0.042   0.429  0.00  0.00    +0.272 A 
ATOM      3  O   LIG    1       -1.843   0.314   1.621  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1       -3.143  -0.187  -0.235  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1       -3.015  -0.484  -1.573  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -4.046  -0.735  -2.401  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1       -5.274  -0.679  -1.830  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -5.499  -0.386  -0.485  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -4.403  -0.132   0.339  0.00  0.00    +0.017 A 
ATOM     10  S   LIG    1       -1.321  -0.498  -2.081  0.00  0.00    +0.017 S 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        3.373   0.358   0.439  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        2.966   0.040  -0.850  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        1.600  -0.110  -1.146  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        0.602   0.053  -0.167  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        1.040   0.374   1.125  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        2.402   0.524   1.423  0.00  0.00    +0.047 A 
BRANCH  11  18
ATOM     17  C   LIG    1        5.684   0.372  -0.111  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        4.660   0.532   0.863  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
TORSDOF 2