REMARK  Name = BDB059888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.063   1.461   0.544  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.970   1.092  -0.244  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.653   1.101   0.400  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -0.340  -0.277   1.019  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1       -0.484  -1.393  -0.033  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1       -1.834  -1.306  -0.755  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -2.086   0.098  -1.314  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1       -2.976   1.700   1.746  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -6.948   1.914  -1.226  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -5.810   2.401  -1.886  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -4.540   2.262  -1.319  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -4.393   1.599  -0.098  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -5.520   1.106   0.564  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -6.790   1.251  -0.006  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -9.475   1.960  -1.470  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1       -8.179   2.082  -1.884  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1       -8.135   2.259  -2.881  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1      -10.370   1.861  -2.308  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1      -10.940   1.568   0.455  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -9.790   2.058  -0.025  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1        0.947  -0.335   1.708  0.00  0.00    -0.319 N 
ATOM     22  H   LIG    1        0.894  -0.144   2.704  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.111  -0.009   1.103  0.00  0.00    +0.159 A 
ATOM     24  S   LIG    1        3.511   0.295   2.064  0.00  0.00    -0.046 S 
ATOM     25  C   LIG    1        4.424   0.584   0.649  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        3.608   0.459  -0.453  0.00  0.00    +0.135 A 
ATOM     27  N   LIG    1        2.296   0.113  -0.192  0.00  0.00    -0.232 NA
BRANCH  25  28
ATOM     28  S   LIG    1        6.124   0.999   0.690  0.00  0.00    -0.116 S 
BRANCH  28  29
ATOM     29  C   LIG    1        6.847  -0.367  -0.280  0.00  0.00    +0.078 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.785  -1.744   0.415  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1        7.309  -2.843  -0.528  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1        8.830  -2.823  -0.643  0.00  0.00    +0.160 C 
ATOM     33  O   LIG    1        9.437  -2.916   0.643  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        9.077  -1.835   1.501  0.00  0.00    +0.160 C 
ATOM     35  C   LIG    1        7.571  -1.814   1.735  0.00  0.00    +0.032 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 8