REMARK  Name = BDB022958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.900   2.542  -2.044  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.170   1.911  -0.672  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -1.362   0.453  -0.783  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.574  -0.153  -1.120  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -2.602  -1.296  -1.579  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -0.159  -0.346  -1.064  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.125   0.188  -0.473  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.161   1.415   0.161  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.389   1.788   0.657  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.503   1.047   0.523  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.386  -0.113  -0.131  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.232  -0.575  -0.627  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -0.069   2.242   0.350  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -3.872   0.625  -0.857  0.00  0.00    +0.080 C 
ATOM     15  C   LIG    1       -4.122   0.768   0.662  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -5.054   1.951   0.955  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -4.673  -0.540   1.258  0.00  0.00    +0.088 C 
ATOM     18  N   LIG    1       -5.893  -0.975   0.569  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -6.452  -2.160   1.223  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -5.606  -1.266  -0.842  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -5.075  -0.026  -1.563  0.00  0.00    +0.028 C 
ENDBRANCH   4  14
BRANCH  11  22
ATOM     22  N   LIG    1        4.484  -0.938  -0.333  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        4.079  -1.840  -0.561  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        5.499  -0.934   0.721  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1        6.490   0.219   0.495  0.00  0.00    +0.050 C 
ATOM     26  C   LIG    1        7.850  -0.122   1.081  0.00  0.00    +0.161 C 
ATOM     27  O   LIG    1        8.443  -1.280   0.495  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1        7.519  -2.213  -0.066  0.00  0.00    +0.161 C 
ATOM     29  C   LIG    1        6.228  -2.290   0.732  0.00  0.00    +0.050 C 
ENDBRANCH  22  24
ENDBRANCH  11  22
TORSDOF 3