REMARK  Name = BDB021009
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.921   1.449   3.411  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -6.146   0.957   2.298  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -6.255   1.472   1.438  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.860   0.528   2.514  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -4.193   0.111   1.369  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.817  -0.338   1.583  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1       -2.096  -0.512   0.295  0.00  0.00    +0.064 A 
ATOM      8  N   LIG    1       -2.734  -0.468  -0.920  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -1.808  -0.651  -1.903  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -0.612  -0.826  -1.389  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1       -4.147  -0.208  -1.081  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -0.770  -0.735  -0.025  0.00  0.00    +0.095 A 
ATOM     13  C   LIG    1       -4.891  -0.481   0.221  0.00  0.00    +0.131 C 
ATOM     14  O   LIG    1       -4.344   0.524   3.628  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1        0.399  -0.882   0.855  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        1.750  -0.581   0.432  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        2.662  -0.806   1.466  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        4.037  -0.577   1.305  0.00  0.00    +0.044 A 
ATOM     19  C   LIG    1        4.451  -0.111   0.068  0.00  0.00    +0.075 A 
ATOM     20  N   LIG    1        3.597   0.120  -0.950  0.00  0.00    -0.254 NA
ATOM     21  S   LIG    1        1.883  -1.375   2.892  0.00  0.00    -0.096 S 
ATOM     22  C   LIG    1        2.270  -0.109  -0.786  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        0.347  -1.323   2.159  0.00  0.00    +0.056 A 
BRANCH  19  24
ATOM     24  C   LIG    1        5.845   0.169  -0.231  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        6.925   0.029   0.621  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1        8.027   0.408  -0.092  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        9.393   0.433   0.370  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        7.750   0.787  -1.351  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        6.423   0.641  -1.433  0.00  0.00    +0.144 A 
ENDBRANCH  19  24
ENDBRANCH  12  15
BRANCH   9  30
ATOM     30  C   LIG    1       -2.086  -0.660  -3.432  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -1.103   0.018  -4.349  0.00  0.00    +0.012 C 
ATOM     32  C   LIG    1       -2.454   0.629  -4.118  0.00  0.00    +0.012 C 
ENDBRANCH   9  30
TORSDOF 3