REMARK  Name = BDB025607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.200  -1.226  -0.322  0.00  0.00    +0.197 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -3.258   0.159   0.476  0.00  0.00    +0.164 C 
ATOM      3  N   LIG    1       -1.960  -0.485   0.726  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1       -0.938  -0.200  -0.189  0.00  0.00    +0.241 C 
ATOM      5  O   LIG    1       -0.937   0.838  -0.857  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1       -1.611  -0.192   2.121  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1       -2.531   0.965   2.564  0.00  0.00    +0.134 C 
ATOM      8  C   LIG    1       -3.183   1.455   1.273  0.00  0.00    +0.065 C 
BRANCH   2  12
ATOM      9  C   LIG    1       -4.982   1.415  -2.706  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1       -4.548   1.254  -1.341  0.00  0.00    -0.317 N 
ATOM     11  H   LIG    1       -4.511   2.089  -0.775  0.00  0.00    +0.148 HD
ATOM     12  C   LIG    1       -3.718   0.201  -1.002  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1       -3.444  -0.700  -1.797  0.00  0.00    -0.274 OA
ENDBRANCH   2  12
BRANCH   7  14
ATOM     14  O   LIG    1       -3.548   0.473   3.438  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -3.989   1.243   3.838  0.00  0.00    +0.210 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1        1.409  -0.643   0.243  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        1.684  -0.740   1.556  0.00  0.00    -0.064 NA
ATOM     18  N   LIG    1        2.835  -0.118   1.769  0.00  0.00    -0.128 NA
ATOM     19  C   LIG    1        3.296   0.373   0.570  0.00  0.00    +0.131 A 
ATOM     20  C   LIG    1        2.394   0.037  -0.418  0.00  0.00    +0.141 A 
BRANCH  19  21
ATOM     21  C   LIG    1        4.537   1.120   0.419  0.00  0.00    +0.092 A 
ATOM     22  N   LIG    1        5.283   1.267   1.543  0.00  0.00    -0.253 NA
ATOM     23  C   LIG    1        6.442   1.952   1.444  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        6.907   2.512   0.268  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.136   2.359  -0.877  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.935   1.655  -0.805  0.00  0.00    +0.030 A 
ENDBRANCH  19  21
ENDBRANCH   1  16
BRANCH   1  27
ATOM     27  C   LIG    1       -0.097  -2.679   0.142  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1       -1.264  -3.297  -0.643  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1        1.125  -3.596  -0.041  0.00  0.00    +0.010 C 
ENDBRANCH   1  27
TORSDOF 6