REMARK  Name = BDB059505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.184   1.628  -0.828  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.382   1.010  -1.929  0.00  0.00    -0.308 N 
ATOM      3  H   LIG    1       -0.158   0.355  -2.474  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.475   2.416  -0.151  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  10
ATOM      5  N   LIG    1       -5.876  -0.668   0.074  0.00  0.00    -0.298 NA
ATOM      6  C   LIG    1       -4.870  -0.557  -1.011  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1       -3.716   0.304  -0.578  0.00  0.00    -0.022 A 
ATOM      8  C   LIG    1       -3.815   1.200   0.462  0.00  0.00    -0.004 A 
ATOM      9  S   LIG    1       -2.389   2.070   0.734  0.00  0.00    -0.088 S 
ATOM     10  C   LIG    1       -1.572   1.268  -0.553  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -5.043   1.364   1.295  0.00  0.00    +0.058 C 
ATOM     12  C   LIG    1       -2.410   0.348  -1.165  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -6.236   0.671   0.599  0.00  0.00    +0.090 C 
BRANCH   5  14
ATOM     14  C   LIG    1       -7.049  -1.404  -0.423  0.00  0.00    +0.084 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -7.370  -2.718   1.745  0.00  0.00    +0.005 C 
ATOM     16  C   LIG    1       -8.026  -1.859   0.671  0.00  0.00    +0.012 C 
ENDBRANCH  14  16
ENDBRANCH   5  14
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  C   LIG    1        1.751   1.260  -2.338  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.743   0.163  -1.905  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1        3.945   0.365  -2.668  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        4.509   0.986  -2.171  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.024   0.194  -0.380  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.687  -1.010   0.173  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        5.018  -1.300  -0.385  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        6.099  -0.336   0.052  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.002   0.327   1.290  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.035   1.179   1.705  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.161   1.361   0.903  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.263   0.698  -0.319  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.762   0.177   2.140  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        7.240  -0.152  -0.740  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.810  -0.925   1.643  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 8