REMARK  Name = BDB012093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.453   0.031   2.234  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -0.275   0.904   1.325  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1        0.307   1.488   0.072  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1       -1.574   1.145   1.767  0.00  0.00    +0.072 A 
ATOM      5  S   LIG    1       -1.855   0.427   3.300  0.00  0.00    -0.081 S 
ATOM      6  C   LIG    1       -0.301  -0.251   3.356  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.195  -0.796   0.823  0.00  0.00    -0.307 N 
ATOM      8  H   LIG    1        1.459  -0.903   0.136  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.814  -0.497   2.108  0.00  0.00    +0.245 C 
ATOM     10  O   LIG    1        2.532  -0.695   3.083  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.438  -1.473   0.537  0.00  0.00    +0.145 C 
BRANCH  11  13
ATOM     12  C   LIG    1        5.023  -0.027  -0.837  0.00  0.00    -0.036 A 
ATOM     13  C   LIG    1        4.008  -0.916  -0.733  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        3.392  -1.453  -1.990  0.00  0.00    +0.254 A 
ATOM     15  O   LIG    1        2.443  -2.231  -1.967  0.00  0.00    -0.268 OA
ATOM     16  N   LIG    1        3.927  -1.015  -3.174  0.00  0.00    -0.326 N 
ATOM     17  H   LIG    1        3.497  -1.393  -4.009  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1        4.949  -0.105  -3.274  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1        5.388   0.280  -4.653  0.00  0.00    +0.063 C 
ATOM     20  C   LIG    1        5.488   0.394  -2.153  0.00  0.00    +0.025 A 
BRANCH  12  21
ATOM     21  C   LIG    1        5.717   0.631   0.339  0.00  0.00    +0.035 C 
BRANCH  21  23
ATOM     22  C   LIG    1        7.194  -1.344   1.012  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        7.139   0.120   0.600  0.00  0.00    +0.001 C 
ENDBRANCH  21  23
ENDBRANCH  12  21
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   4  24
ATOM     24  N   LIG    1       -2.520   1.925   1.157  0.00  0.00    -0.322 N 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.625   1.370   0.350  0.00  0.00    +0.074 C 
ATOM     26  C   LIG    1       -4.778   0.843   1.221  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -5.581  -0.237   0.501  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -4.704  -1.475   0.217  0.00  0.00    +0.056 C 
ATOM     29  C   LIG    1       -3.276  -1.097  -0.247  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1       -3.154   0.353  -0.707  0.00  0.00    +0.024 C 
BRANCH  28  31
ATOM     31  N   LIG    1       -5.317  -2.484  -0.673  0.00  0.00    -0.305 NA
ATOM     32  C   LIG    1       -6.477  -3.132  -0.063  0.00  0.00    +0.104 C 
ATOM     33  C   LIG    1       -5.649  -2.004  -2.012  0.00  0.00    +0.104 C 
ENDBRANCH  28  31
ENDBRANCH  24  25
BRANCH  24  34
ATOM     34  C   LIG    1       -2.409   3.380   1.290  0.00  0.00    +0.102 C 
ATOM     35  C   LIG    1       -3.422   3.928   2.282  0.00  0.00    +0.024 C 
ENDBRANCH  24  34
ENDBRANCH   4  24
TORSDOF 9