REMARK  Name = BDB033701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.424   0.382   0.160  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -1.062   0.451  -0.620  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        3.451   1.861  -0.593  0.00  0.00    +0.105 A 
ATOM      4  C   LIG    1        2.496   1.827  -1.606  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.218   1.332  -1.326  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.870   0.875  -0.041  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        1.850   0.928   0.957  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        3.133   1.422   0.692  0.00  0.00    +0.030 A 
BRANCH   3   9
ATOM      9  S   LIG    1        5.076   2.493  -0.919  0.00  0.00    +0.059 S 
ATOM     10  O   LIG    1        5.484   3.267   0.233  0.00  0.00    -0.153 OA
ATOM     11  O   LIG    1        5.104   3.043  -2.256  0.00  0.00    -0.153 OA
BRANCH   9  12
ATOM     12  N   LIG    1        5.999   1.099  -0.903  0.00  0.00    -0.187 NA
ATOM     13  H   LIG    1        6.780   1.108  -0.250  0.00  0.00    +0.148 HD
BRANCH  12  15
ATOM     14  C   LIG    1        6.010  -1.238  -1.535  0.00  0.00    +0.025 C 
ATOM     15  C   LIG    1        6.011   0.195  -2.055  0.00  0.00    +0.070 C 
ATOM     16  C   LIG    1        7.250   0.469  -2.897  0.00  0.00    +0.025 C 
ENDBRANCH  12  15
ENDBRANCH   9  12
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  C   LIG    1       -1.092  -0.167   1.249  0.00  0.00    +0.223 A 
ATOM     18  N   LIG    1       -2.380  -0.473   1.029  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1       -3.079  -1.013   2.049  0.00  0.00    +0.237 A 
ATOM     20  C   LIG    1       -2.541  -1.263   3.289  0.00  0.00    +0.131 A 
ATOM     21  C   LIG    1       -1.220  -0.920   3.422  0.00  0.00    +0.138 A 
ATOM     22  N   LIG    1       -0.487  -0.378   2.427  0.00  0.00    -0.221 NA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.275  -1.836   4.363  0.00  0.00    +0.106 C 
ATOM     24  N   LIG    1       -3.849  -2.305   5.256  0.00  0.00    -0.191 NA
ENDBRANCH  20  23
BRANCH  19  25
ATOM     25  O   LIG    1       -4.408  -1.335   1.854  0.00  0.00    -0.470 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -4.922  -1.050   0.551  0.00  0.00    +0.203 C 
ATOM     27  C   LIG    1       -6.280  -1.742   0.396  0.00  0.00    +0.155 C 
ATOM     28  C   LIG    1       -6.904  -1.017  -0.786  0.00  0.00    +0.035 C 
ATOM     29  C   LIG    1       -6.427   0.428  -0.660  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -5.301   0.420   0.374  0.00  0.00    +0.047 C 
BRANCH  27  31
ATOM     31  O   LIG    1       -6.146  -3.128   0.123  0.00  0.00    -0.388 OA
ATOM     32  H   LIG    1       -5.707  -3.526   0.896  0.00  0.00    +0.210 HD
ENDBRANCH  27  31
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH   1  17
TORSDOF 9