REMARK  Name = BDB002303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.848   0.139   0.141  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.303  -0.530   0.486  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.376   0.153   1.199  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        2.176  -0.981   1.842  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        1.985  -2.136   0.863  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.547  -1.960   0.396  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -1.026   1.323   0.450  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.261   0.960   0.223  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        3.118   1.841   0.850  0.00  0.00    -0.308 N 
ATOM     10  H   LIG    1        3.264   1.761   1.848  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        2.248   0.800  -0.997  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        4.170   2.508   0.112  0.00  0.00    +0.159 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.429   1.671   0.100  0.00  0.00    +0.058 A 
ATOM     14  N   LIG    1        6.198   1.696   1.221  0.00  0.00    -0.258 NA
ATOM     15  C   LIG    1        7.306   0.922   1.227  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        7.683   0.106   0.174  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        6.874   0.075  -0.956  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        5.728   0.864  -0.996  0.00  0.00    +0.025 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  19
ATOM     19  C   LIG    1       -1.895  -0.618  -0.710  0.00  0.00    +0.162 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.020  -0.455   0.528  0.00  0.00    +0.230 C 
ATOM     21  N   LIG    1       -3.191   0.017  -0.471  0.00  0.00    -0.302 N 
ATOM     22  H   LIG    1       -3.191   1.023  -0.599  0.00  0.00    +0.150 HD
ATOM     23  O   LIG    1       -3.833  -1.523   1.109  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1       -5.201   0.485   0.860  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1       -4.720   1.559   1.831  0.00  0.00    +0.034 C 
BRANCH  24  27
ATOM     26  C   LIG    1       -7.041  -1.061   0.504  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -6.311  -0.266   1.485  0.00  0.00    -0.309 NA
ATOM     28  H   LIG    1       -5.894  -0.907   2.167  0.00  0.00    +0.122 HD
ENDBRANCH  24  27
ENDBRANCH  20  24
ENDBRANCH  19  21
BRANCH  19  29
ATOM     29  C   LIG    1       -1.503  -0.611  -2.206  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -1.519   0.784  -2.841  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -2.409  -1.554  -3.005  0.00  0.00    +0.009 C 
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 8