REMARK  Name = BDB059481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.806   1.800   1.539  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.875   1.769   0.735  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.032   2.272  -0.542  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1        0.365   2.010  -1.254  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.434   1.188   1.012  0.00  0.00    +0.074 A 
ATOM      6  S   LIG    1       -0.644   0.262   2.446  0.00  0.00    -0.088 S 
ATOM      7  C   LIG    1       -2.270  -0.047   2.086  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1       -3.171  -0.831   2.982  0.00  0.00    +0.058 C 
ATOM      9  C   LIG    1       -4.485  -1.161   2.239  0.00  0.00    +0.090 C 
ATOM     10  N   LIG    1       -5.005   0.005   1.485  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -4.088   0.371   0.383  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -2.687   0.534   0.908  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1       -1.616   1.253   0.289  0.00  0.00    +0.026 A 
BRANCH  10  14
ATOM     14  C   LIG    1       -6.410  -0.191   1.068  0.00  0.00    +0.061 C 
ATOM     15  C   LIG    1       -7.106   1.158   0.799  0.00  0.00    +0.047 C 
ATOM     16  C   LIG    1       -8.370   0.988  -0.041  0.00  0.00    +0.161 C 
ATOM     17  O   LIG    1       -8.951  -0.291   0.182  0.00  0.00    -0.380 OA
ATOM     18  C   LIG    1       -8.147  -1.357  -0.326  0.00  0.00    +0.161 C 
ATOM     19  C   LIG    1       -6.647  -1.140  -0.112  0.00  0.00    +0.047 C 
ENDBRANCH  10  14
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1        2.314   2.746  -1.036  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.083   1.672  -1.821  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.237   1.150  -2.861  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        2.642   0.285  -3.083  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        3.586   0.505  -0.943  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.191  -0.567  -1.775  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        5.551  -0.226  -2.247  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        6.640  -0.314  -1.199  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        6.476  -1.109  -0.051  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        7.513  -1.199   0.887  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        8.714  -0.524   0.676  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.888   0.248  -0.470  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.166  -1.811   0.206  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        7.858   0.351  -1.405  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        4.260  -1.843  -1.035  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7