REMARK  Name = BDB008394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.573  -1.524   0.644  0.00  0.00    +0.070 A 
ATOM      2  C   LIG    1        1.855  -1.042   0.204  0.00  0.00    +0.095 A 
ATOM      3  C   LIG    1        2.824  -2.039   0.212  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1        4.107  -1.715  -0.190  0.00  0.00    +0.131 A 
ATOM      5  N   LIG    1        4.380  -0.452  -0.579  0.00  0.00    -0.222 NA
ATOM      6  C   LIG    1        3.394   0.458  -0.564  0.00  0.00    +0.216 A 
ATOM      7  S   LIG    1        2.192  -3.536   0.742  0.00  0.00    -0.093 S 
ATOM      8  N   LIG    1        2.138   0.220  -0.201  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        0.637  -2.869   0.970  0.00  0.00    +0.061 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1       -1.794  -1.379   0.442  0.00  0.00    -0.278 N 
ATOM     11  H   LIG    1       -1.711  -2.315   0.060  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -0.635  -0.704   0.774  0.00  0.00    +0.251 C 
ATOM     13  O   LIG    1       -0.577   0.461   1.147  0.00  0.00    -0.270 OA
BRANCH  10  15
ATOM     14  C   LIG    1       -4.123  -1.802   0.036  0.00  0.00    +0.143 A 
ATOM     15  C   LIG    1       -3.127  -0.913   0.484  0.00  0.00    +0.077 A 
ATOM     16  C   LIG    1       -3.496   0.351   0.942  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1       -4.848   0.736   0.953  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -5.847  -0.152   0.505  0.00  0.00    +0.075 A 
ATOM     19  N   LIG    1       -7.151   0.175   0.500  0.00  0.00    -0.255 NA
ATOM     20  C   LIG    1       -7.498   1.404   0.944  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1       -6.594   2.342   1.402  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -5.248   2.000   1.406  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -5.465  -1.408   0.054  0.00  0.00    +0.075 A 
BRANCH  14  25
ATOM     24  C   LIG    1       -4.641  -3.939  -0.891  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.667  -3.029  -0.392  0.00  0.00    -0.493 OA
ENDBRANCH  14  25
ENDBRANCH  10  15
ENDBRANCH   1  12
BRANCH   6  26
ATOM     26  N   LIG    1        3.653   1.757  -0.979  0.00  0.00    -0.311 N 
ATOM     27  H   LIG    1        2.824   2.273  -0.691  0.00  0.00    +0.149 HD
BRANCH  26  28
ATOM     28  C   LIG    1        4.902   2.353  -0.495  0.00  0.00    +0.138 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.054   2.139  -1.501  0.00  0.00    +0.157 C 
BRANCH  29  30
ATOM     30  O   LIG    1        6.640   0.837  -1.341  0.00  0.00    -0.388 OA
ATOM     31  H   LIG    1        5.880   0.219  -1.253  0.00  0.00    +0.210 HD
ENDBRANCH  29  30
BRANCH  29  32
ATOM     32  C   LIG    1        7.176   3.157  -1.280  0.00  0.00    +0.188 C 
BRANCH  32  33
ATOM     33  O   LIG    1        7.750   2.977   0.015  0.00  0.00    -0.392 OA
ATOM     34  H   LIG    1        7.957   2.021   0.060  0.00  0.00    +0.210 HD
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   6  26
TORSDOF 9