REMARK  Name = BDB053334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.282  -1.325   0.306  0.00  0.00    +0.098 A 
ATOM      2  C   LIG    1       -0.585  -0.392  -0.252  0.00  0.00    +0.083 A 
ATOM      3  N   LIG    1       -1.863  -0.965  -0.123  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -1.649  -2.230   0.412  0.00  0.00    +0.176 A 
ATOM      5  N   LIG    1       -0.390  -2.449   0.705  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        4.535  -1.115   0.728  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1        3.902  -2.310   0.382  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        2.512  -2.367   0.249  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.728  -1.225   0.452  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        2.366  -0.035   0.820  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        3.761   0.023   0.951  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1        6.588   0.004   1.151  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        5.897  -1.194   0.821  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  C   LIG    1       -0.302   0.930  -0.814  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        0.418   1.046  -2.007  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        0.721   2.307  -2.526  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        0.313   3.468  -1.865  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1       -0.401   3.357  -0.672  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -0.704   2.095  -0.148  0.00  0.00    +0.013 A 
BRANCH  17  20
ATOM     20  O   LIG    1        0.675   4.634  -2.481  0.00  0.00    -0.495 OA
ATOM     21  C   LIG    1        0.258   5.844  -1.862  0.00  0.00    +0.277 C 
ENDBRANCH  17  20
ENDBRANCH   2  14
BRANCH   3  22
ATOM     22  C   LIG    1       -3.102  -0.357  -0.512  0.00  0.00    +0.140 A 
ATOM     23  N   LIG    1       -3.078   0.511  -1.556  0.00  0.00    -0.237 NA
ATOM     24  C   LIG    1       -4.236   1.096  -1.927  0.00  0.00    +0.113 A 
ATOM     25  C   LIG    1       -5.444   0.871  -1.295  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -5.459   0.004  -0.212  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.276  -0.616   0.192  0.00  0.00    +0.047 A 
ENDBRANCH   3  22
BRANCH   4  28
ATOM     28  S   LIG    1       -2.839  -3.499   0.515  0.00  0.00    -0.076 S 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.920  -4.762   1.442  0.00  0.00    +0.197 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.525  -4.347   2.837  0.00  0.00    +0.315 C 
ATOM     31  O   LIG    1       -0.603  -4.834   3.478  0.00  0.00    -0.250 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -2.333  -3.447   3.435  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -1.912  -3.318   4.311  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 9