REMARK  Name = BDB008875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.808  -2.231  -1.105  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.325  -1.634   0.066  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.890  -2.052   0.623  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.603  -3.083  -0.007  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.127  -3.665  -1.185  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.074  -3.232  -1.745  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1        3.212  -1.681  -0.958  0.00  0.00    -0.299 N 
ATOM      8  C   LIG    1        2.051  -1.725  -1.727  0.00  0.00    +0.246 C 
ATOM      9  O   LIG    1        1.982  -1.331  -2.889  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.385  -2.390   0.303  0.00  0.00    +0.132 C 
BRANCH   7  11
ATOM     11  C   LIG    1        4.269  -0.747  -1.355  0.00  0.00    +0.123 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.415   0.463  -0.397  0.00  0.00    +0.102 C 
BRANCH  12  14
ATOM     13  C   LIG    1        2.647   1.887  -1.271  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        3.166   1.195  -0.087  0.00  0.00    -0.307 NA
ATOM     15  C   LIG    1        3.405   2.165   0.984  0.00  0.00    +0.104 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1       -1.421  -1.401   1.877  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.763  -0.703   1.669  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -2.815   0.623   0.975  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -1.561   1.310   0.510  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -1.772   2.786   0.158  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -3.040   2.974  -0.666  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.268   2.473   0.097  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -4.034   1.164   0.800  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.240   0.464   1.308  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -6.365   0.937   1.180  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -5.019  -0.733   1.932  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -5.832  -1.228   2.284  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1       -3.812  -1.329   2.116  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 6