REMARK  Name = BDB033731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.316  -0.138  -0.079  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1       -0.825   0.528  -0.653  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   6
ATOM      3  N   LIG    1        3.447   1.303   0.486  0.00  0.00    -0.176 NA
ATOM      4  C   LIG    1        2.389   2.212   0.997  0.00  0.00    +0.111 C 
ATOM      5  C   LIG    1        1.039   1.829   0.410  0.00  0.00    +0.039 C 
ATOM      6  C   LIG    1        0.614   0.433   0.895  0.00  0.00    +0.076 C 
ATOM      7  C   LIG    1        1.829  -0.489   1.094  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1        2.994  -0.088   0.202  0.00  0.00    +0.111 C 
BRANCH   3   9
ATOM      9  S   LIG    1        4.932   1.455   1.305  0.00  0.00    +0.064 S 
ATOM     10  O   LIG    1        5.266   2.860   1.384  0.00  0.00    -0.153 OA
ATOM     11  O   LIG    1        4.883   0.613   2.481  0.00  0.00    -0.153 OA
BRANCH   9  16
ATOM     12  C   LIG    1        8.915  -1.272  -0.713  0.00  0.00    +0.172 C 
ATOM     13  N   LIG    1        7.816  -0.358  -0.514  0.00  0.00    -0.273 N 
ATOM     14  N   LIG    1        7.434   0.450  -1.524  0.00  0.00    -0.178 NA
ATOM     15  C   LIG    1        6.431   1.162  -0.999  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1        6.161   0.788   0.324  0.00  0.00    +0.143 A 
ATOM     17  C   LIG    1        7.072  -0.202   0.618  0.00  0.00    +0.136 A 
ENDBRANCH   9  16
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.282  -0.998   0.422  0.00  0.00    +0.219 A 
ATOM     19  N   LIG    1       -2.450  -0.989  -0.228  0.00  0.00    -0.178 NA
ATOM     20  C   LIG    1       -3.412  -1.825   0.217  0.00  0.00    +0.237 A 
ATOM     21  C   LIG    1       -3.254  -2.652   1.305  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1       -2.023  -2.582   1.908  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1       -1.032  -1.768   1.488  0.00  0.00    -0.221 NA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.270  -3.520   1.789  0.00  0.00    +0.106 C 
ATOM     25  N   LIG    1       -5.072  -4.242   2.216  0.00  0.00    -0.191 NA
ENDBRANCH  21  24
BRANCH  20  26
ATOM     26  O   LIG    1       -4.644  -1.822  -0.406  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.717  -1.144  -1.665  0.00  0.00    +0.237 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.519   0.161  -1.555  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -6.906   0.036  -0.851  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -6.631   1.391  -0.169  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -5.128   1.157  -0.419  0.00  0.00    +0.010 C 
ATOM     32  C   LIG    1       -5.606   0.838  -2.931  0.00  0.00    +0.014 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH   1  18
TORSDOF 8