REMARK  Name = BDB057638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.123  -2.095  -0.852  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -2.369  -0.724  -0.688  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -3.607  -0.273  -0.207  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -4.582  -1.237   0.098  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -5.814  -0.833   0.608  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -6.529  -1.514   0.827  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -6.145   0.466   0.855  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -5.117   1.510   0.546  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -5.581   2.898   0.903  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -4.242   4.117   1.006  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -3.377   3.637  -0.503  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -2.889   2.193  -0.407  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -7.250   0.758   1.303  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -4.351  -2.604  -0.094  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -3.926   1.165   0.002  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -3.119  -3.034  -0.581  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  21
ATOM     17  N   LIG    1        2.800  -1.205   0.502  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1        1.761  -1.840   1.323  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        0.376  -1.700   0.663  0.00  0.00    +0.123 C 
ATOM     20  N   LIG    1        0.342  -2.193  -0.720  0.00  0.00    -0.295 N 
ATOM     21  C   LIG    1       -0.824  -2.569  -1.379  0.00  0.00    +0.247 C 
ATOM     22  O   LIG    1       -0.840  -3.281  -2.380  0.00  0.00    -0.270 OA
ATOM     23  C   LIG    1        1.619  -2.636  -1.271  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1        2.803  -1.724  -0.882  0.00  0.00    +0.103 C 
BRANCH  17  25
ATOM     25  C   LIG    1        4.117  -1.258   1.144  0.00  0.00    +0.084 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.164  -0.348   0.484  0.00  0.00    +0.015 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.769   1.132   0.507  0.00  0.00    +0.001 C 
BRANCH  27  29
ATOM     28  C   LIG    1        5.481   3.479  -0.075  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        5.868   2.008  -0.094  0.00  0.00    -0.003 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  17  25
ENDBRANCH   1  21
TORSDOF 5