REMARK  Name = BDB032401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        2.118   2.380   1.461  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        1.555   3.687   1.732  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        2.679   1.580   2.529  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1       -1.084  -0.060  -0.703  0.00  0.00    -0.022 A 
ATOM      5  C   LIG    1       -0.166  -0.693   0.149  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        0.812   0.049   0.813  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        0.885   1.430   0.611  0.00  0.00    +0.109 A 
ATOM      8  C   LIG    1       -0.021   2.077  -0.231  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -0.996   1.329  -0.892  0.00  0.00    +0.008 A 
BRANCH   4  10
ATOM     10  C   LIG    1       -2.130  -0.870  -1.433  0.00  0.00    +0.195 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -3.400  -0.218  -1.428  0.00  0.00    -0.372 OA
BRANCH  11  16
ATOM     12  C   LIG    1       -7.850  -0.692   0.097  0.00  0.00    +0.104 C 
ATOM     13  N   LIG    1       -6.779  -0.672   1.092  0.00  0.00    -0.305 NA
ATOM     14  C   LIG    1       -5.867  -1.813   0.948  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1       -4.918  -1.709  -0.246  0.00  0.00    +0.047 C 
ATOM     16  C   LIG    1       -4.142  -0.392  -0.215  0.00  0.00    +0.121 C 
ATOM     17  C   LIG    1       -5.111   0.783  -0.096  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1       -6.049   0.602   1.095  0.00  0.00    +0.086 C 
ENDBRANCH  11  16
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   7
BRANCH   1  19
ATOM     19  N   LIG    1        3.291   2.620   0.265  0.00  0.00    -0.216 N 
ATOM     20  H   LIG    1        3.696   3.552   0.338  0.00  0.00    +0.174 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.163   1.541  -0.037  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        5.300   1.315   0.738  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        6.146   0.226   0.463  0.00  0.00    -0.011 A 
ATOM     24  C   LIG    1        5.848  -0.640  -0.611  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        6.738  -1.711  -0.845  0.00  0.00    +0.124 A 
ATOM     26  N   LIG    1        7.826  -1.955  -0.091  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        8.070  -1.113   0.933  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        4.683  -0.395  -1.373  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        7.277  -0.023   1.244  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1        3.847   0.685  -1.086  0.00  0.00    +0.025 A 
BRANCH  25  31
ATOM     31  N   LIG    1        6.543  -2.616  -1.894  0.00  0.00    -0.343 N 
ATOM     32  H   LIG    1        7.332  -3.258  -1.858  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1        6.507  -2.129  -2.782  0.00  0.00    +0.144 HD
ENDBRANCH  25  31
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7