REMARK  Name = BDB033795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.826  -0.000  -0.641  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -2.073  -0.058  -0.154  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -2.986  -0.739  -0.877  0.00  0.00    +0.223 A 
ATOM      4  C   LIG    1       -2.731  -1.393  -2.071  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -1.418  -1.254  -2.472  0.00  0.00    +0.123 A 
ATOM      6  N   LIG    1       -0.466  -0.584  -1.790  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.765  -2.133  -2.880  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1       -4.448  -3.352  -2.302  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1       -3.472  -3.512  -3.428  0.00  0.00    +0.009 C 
ENDBRANCH   4   7
BRANCH   1  10
ATOM     10  N   LIG    1        0.076   0.712   0.143  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -0.410   1.078   0.948  0.00  0.00    +0.155 HD
BRANCH  10  15
ATOM     12  C   LIG    1        4.135   1.815  -0.143  0.00  0.00    +0.105 A 
ATOM     13  C   LIG    1        3.381   2.166   0.975  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.036   1.789   1.040  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        1.421   1.071  -0.002  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1        2.203   0.736  -1.113  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1        3.550   1.108  -1.194  0.00  0.00    +0.030 A 
BRANCH  12  18
ATOM     18  S   LIG    1        5.840   2.285  -0.254  0.00  0.00    +0.059 S 
ATOM     19  O   LIG    1        6.095   2.696  -1.617  0.00  0.00    -0.153 OA
ATOM     20  O   LIG    1        6.166   3.132   0.872  0.00  0.00    -0.153 OA
BRANCH  18  21
ATOM     21  N   LIG    1        6.618   0.819  -0.050  0.00  0.00    -0.187 NA
ATOM     22  H   LIG    1        7.256   0.561  -0.800  0.00  0.00    +0.148 HD
BRANCH  21  24
ATOM     23  C   LIG    1        8.149   0.513   1.819  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        6.755   0.221   1.278  0.00  0.00    +0.070 C 
ATOM     25  C   LIG    1        6.521  -1.281   1.153  0.00  0.00    +0.025 C 
ENDBRANCH  21  24
ENDBRANCH  18  21
ENDBRANCH  12  18
ENDBRANCH  10  15
ENDBRANCH   1  10
BRANCH   3  26
ATOM     26  O   LIG    1       -4.289  -0.803  -0.414  0.00  0.00    -0.470 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.541  -0.087   0.794  0.00  0.00    +0.203 C 
ATOM     28  C   LIG    1       -5.892  -0.539   1.366  0.00  0.00    +0.155 C 
ATOM     29  C   LIG    1       -6.236   0.573   2.344  0.00  0.00    +0.035 C 
ATOM     30  C   LIG    1       -5.706   1.852   1.686  0.00  0.00    +0.006 C 
ATOM     31  C   LIG    1       -4.768   1.407   0.563  0.00  0.00    +0.047 C 
BRANCH  28  32
ATOM     32  O   LIG    1       -6.895  -0.596   0.350  0.00  0.00    -0.388 OA
ATOM     33  H   LIG    1       -6.475  -1.030  -0.417  0.00  0.00    +0.210 HD
ENDBRANCH  28  32
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 9