REMARK  Name = BDB022158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.001  -1.384  -1.273  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -1.313  -0.204  -0.999  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -1.781   1.210  -0.979  0.00  0.00    +0.066 C 
ATOM      4  N   LIG    1        0.020  -0.569  -0.769  0.00  0.00    -0.202 N 
ATOM      5  N   LIG    1        0.210  -1.900  -1.009  0.00  0.00    -0.171 NA
ATOM      6  C   LIG    1       -0.996  -2.369  -1.310  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.120   0.259  -0.321  0.00  0.00    +0.252 A 
ATOM      8  N   LIG    1        2.339  -0.308  -0.223  0.00  0.00    -0.210 NA
ATOM      9  C   LIG    1        3.362   0.463   0.203  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        3.200   1.781   0.595  0.00  0.00    -0.006 A 
ATOM     11  C   LIG    1        4.287   2.660   1.120  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        1.917   2.269   0.449  0.00  0.00    +0.120 A 
ATOM     13  N   LIG    1        0.873   1.545   0.003  0.00  0.00    -0.219 NA
BRANCH   9  14
ATOM     14  C   LIG    1        4.633  -0.269   0.239  0.00  0.00    +0.038 A 
ATOM     15  S   LIG    1        6.007   0.302  -0.618  0.00  0.00    -0.095 S 
ATOM     16  C   LIG    1        6.957  -1.030  -0.123  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        6.243  -1.915   0.651  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        4.899  -1.483   0.847  0.00  0.00    +0.017 A 
ENDBRANCH   9  14
ENDBRANCH   4   7
BRANCH   1  21
ATOM     19  N   LIG    1       -4.273  -0.735  -0.923  0.00  0.00    -0.308 N 
ATOM     20  H   LIG    1       -3.904  -0.182  -0.162  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -3.412  -1.620  -1.530  0.00  0.00    +0.248 C 
ATOM     22  O   LIG    1       -3.798  -2.580  -2.189  0.00  0.00    -0.270 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -5.691  -0.976  -0.943  0.00  0.00    +0.131 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -7.019   0.415   0.670  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.365   0.279  -0.491  0.00  0.00    -0.016 C 
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH   1  21
TORSDOF 5