REMARK  Name = BDB027791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.044  -0.749  -0.221  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.820  -1.868  -0.579  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.200  -1.713  -0.427  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.980  -2.802  -0.785  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        2.523  -3.992  -1.258  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        1.191  -4.115  -1.376  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.763  -0.590   0.038  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.931   0.404   0.374  0.00  0.00    +0.165 A 
ATOM      9  C   LIG    1        0.308  -3.100  -1.056  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.596   0.370   0.265  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.508   1.624   0.892  0.00  0.00    +0.056 A 
ATOM     12  C   LIG    1        3.854   1.871   1.078  0.00  0.00    +0.116 A 
ATOM     13  N   LIG    1        3.945   3.136   1.581  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1        4.780   3.650   1.840  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1        2.753   3.737   1.737  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1        1.881   2.814   1.319  0.00  0.00    +0.145 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.371  -0.822  -0.360  0.00  0.00    -0.321 N 
ATOM     18  H   LIG    1       -1.558  -1.111  -1.321  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.370   0.149   0.062  0.00  0.00    +0.056 C 
ATOM     20  C   LIG    1       -2.160   1.586  -0.471  0.00  0.00    +0.028 C 
ATOM     21  C   LIG    1       -2.503   2.106   0.941  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1       -2.193   0.701   1.500  0.00  0.00    +0.028 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.768  -0.432  -0.210  0.00  0.00    +0.181 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -3.859  -1.755   0.325  0.00  0.00    -0.393 OA
ATOM     25  H   LIG    1       -2.948  -2.024   0.548  0.00  0.00    +0.209 HD
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5