REMARK  Name = BDB024448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.981  -0.700  -1.757  0.00  0.00    +0.172 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.729   0.328  -0.839  0.00  0.00    +0.241 C 
ATOM      3  N   LIG    1       -2.221  -0.174   0.364  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -2.830   0.590   1.381  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -3.258  -0.241   2.418  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -3.882   0.272   3.546  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -4.072   1.651   3.629  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -3.645   2.490   2.590  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.989  -1.677   2.113  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1       -3.020   1.960   1.456  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -2.202  -1.580   0.801  0.00  0.00    +0.118 C 
ATOM     12  O   LIG    1       -1.858   1.508  -1.178  0.00  0.00    -0.273 OA
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1       -1.939  -1.359  -2.744  0.00  0.00    -0.022 A 
ATOM     14  C   LIG    1       -1.986  -2.758  -2.861  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.853  -3.367  -3.769  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.677  -2.588  -4.579  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.629  -1.199  -4.486  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -2.762  -0.588  -3.579  0.00  0.00    +0.005 A 
ENDBRANCH   1  13
BRANCH   1  19
ATOM     19  N   LIG    1        0.137  -0.075  -2.504  0.00  0.00    -0.302 NA
ATOM     20  H   LIG    1        0.551  -0.770  -3.122  0.00  0.00    +0.123 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.168   0.550  -1.672  0.00  0.00    +0.086 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.952  -0.423  -0.779  0.00  0.00    +0.050 C 
BRANCH  22  26
ATOM     23  C   LIG    1        5.113   1.582   1.347  0.00  0.00    +0.105 A 
ATOM     24  C   LIG    1        5.415   0.837   0.205  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1        4.390   0.182  -0.480  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        3.065   0.271  -0.029  0.00  0.00    -0.046 A 
ATOM     27  C   LIG    1        2.776   1.037   1.112  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        3.796   1.696   1.800  0.00  0.00    +0.029 A 
BRANCH  23  29
ATOM     29  S   LIG    1        6.418   2.416   2.209  0.00  0.00    +0.056 S 
ATOM     30  O   LIG    1        5.836   3.418   3.072  0.00  0.00    -0.153 OA
ATOM     31  O   LIG    1        7.473   2.713   1.271  0.00  0.00    -0.153 OA
BRANCH  29  32
ATOM     32  N   LIG    1        6.967   1.200   3.239  0.00  0.00    -0.204 NA
ATOM     33  H   LIG    1        6.794   1.487   4.204  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        6.561   0.288   3.033  0.00  0.00    +0.144 HD
ENDBRANCH  29  32
ENDBRANCH  23  29
ENDBRANCH  22  26
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 8