REMARK  Name = BDB027740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.873  -0.401   0.233  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1        3.438  -1.434   0.877  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1        2.612  -2.293   1.484  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.226  -2.138   1.489  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.427  -3.108   2.141  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        1.039  -4.176   2.772  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.371  -4.344   2.799  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        0.735  -1.001   0.815  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        3.108  -3.402   2.153  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1        1.555  -0.154   0.172  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        2.294   2.047  -1.957  0.00  0.00    +0.068 C 
ATOM     12  C   LIG    1        3.564   1.590  -1.344  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        3.780   0.532  -0.416  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        5.149   0.539  -0.220  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1        5.647   1.545  -0.987  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1        6.614   1.838  -1.088  0.00  0.00    +0.188 HD
ATOM     17  N   LIG    1        4.710   2.202  -1.681  0.00  0.00    -0.178 NA
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  N   LIG    1       -0.653  -0.773   0.834  0.00  0.00    -0.323 N 
ATOM     19  H   LIG    1       -0.946  -0.766   1.810  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.345   0.306   0.081  0.00  0.00    +0.030 C 
ATOM     21  C   LIG    1       -0.910   1.677   0.628  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -1.065   0.171  -1.419  0.00  0.00    +0.031 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -2.866   0.064   0.389  0.00  0.00    +0.059 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.016   0.732  -0.405  0.00  0.00    +0.062 C 
ATOM     25  C   LIG    1       -4.280   0.090  -1.771  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.908   2.247  -0.541  0.00  0.00    +0.041 C 
BRANCH  24  27
ATOM     27  O   LIG    1       -5.211   0.505   0.374  0.00  0.00    -0.389 OA
ATOM     28  H   LIG    1       -5.383  -0.453   0.391  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 6