REMARK  Name = BDB025574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.592  -0.484   1.115  0.00  0.00    +0.197 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        2.617   1.380   0.228  0.00  0.00    +0.164 C 
ATOM      3  N   LIG    1        1.468   0.900   1.010  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1        0.829  -0.273   0.561  0.00  0.00    +0.241 C 
ATOM      5  O   LIG    1        1.382  -1.063  -0.203  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1        1.878   0.844   2.415  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1        3.416   0.963   2.406  0.00  0.00    +0.134 C 
ATOM      8  C   LIG    1        3.812   0.766   0.942  0.00  0.00    +0.065 C 
BRANCH   2  12
ATOM      9  C   LIG    1        3.769   1.186  -3.423  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1        3.723   1.201  -1.983  0.00  0.00    -0.317 N 
ATOM     11  H   LIG    1        4.596   1.276  -1.480  0.00  0.00    +0.148 HD
ATOM     12  C   LIG    1        2.518   1.285  -1.314  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1        1.445   1.385  -1.909  0.00  0.00    -0.274 OA
ENDBRANCH   2  12
BRANCH   7  14
ATOM     14  O   LIG    1        3.850   2.251   2.842  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1        3.198   2.922   2.571  0.00  0.00    +0.210 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -1.194  -1.860   0.713  0.00  0.00    +0.023 C 
ATOM     17  C   LIG    1       -0.453  -3.024   1.396  0.00  0.00    +0.006 C 
ATOM     18  C   LIG    1       -0.919  -4.384   0.869  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1       -2.373  -4.391   0.399  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -3.217  -3.400   1.184  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -2.703  -1.963   1.045  0.00  0.00    +0.006 C 
ENDBRANCH   1  16
BRANCH   1  22
ATOM     22  N   LIG    1       -1.420   0.636   0.692  0.00  0.00    -0.239 N 
ATOM     23  N   LIG    1       -2.068   1.379   1.613  0.00  0.00    -0.065 NA
ATOM     24  N   LIG    1       -2.730   2.328   0.962  0.00  0.00    -0.134 NA
ATOM     25  C   LIG    1       -2.490   2.167  -0.373  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1       -1.668   1.086  -0.571  0.00  0.00    +0.134 A 
BRANCH  25  27
ATOM     27  C   LIG    1       -3.071   3.106  -1.457  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -2.221   3.509  -2.634  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -3.389   2.584  -2.834  0.00  0.00    +0.010 C 
ENDBRANCH  25  27
ENDBRANCH   1  22
TORSDOF 6