REMARK  Name = BDB012704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.643   0.269   1.248  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1        1.662   1.434   0.524  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        0.445   1.452  -0.152  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        0.152   2.539  -1.003  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        1.093   3.571  -1.144  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        2.307   3.524  -0.451  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -0.226   0.253   0.244  0.00  0.00    +0.153 A 
ATOM      8  C   LIG    1        2.616   2.454   0.397  0.00  0.00    +0.029 A 
ATOM      9  N   LIG    1        0.516  -0.449   1.102  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        0.807   4.680  -2.006  0.00  0.00    +0.099 C 
ATOM     11  N   LIG    1        0.579   5.580  -2.703  0.00  0.00    -0.191 NA
ENDBRANCH   5  10
BRANCH   7  12
ATOM     12  N   LIG    1       -1.456  -0.065  -0.228  0.00  0.00    -0.296 N 
ATOM     13  H   LIG    1       -1.886   0.597  -0.879  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -2.300  -1.177   0.005  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -3.566  -1.282  -0.613  0.00  0.00    +0.083 A 
ATOM     16  C   LIG    1       -4.391  -2.389  -0.372  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1       -3.937  -3.372   0.482  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1       -2.742  -3.323   1.095  0.00  0.00    -0.261 NA
ATOM     19  C   LIG    1       -1.960  -2.238   0.845  0.00  0.00    +0.134 A 
BRANCH  15  20
ATOM     20  C   LIG    1       -4.033  -0.209  -1.531  0.00  0.00    +0.339 C 
ATOM     21  O   LIG    1       -3.403   0.794  -1.821  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -5.256  -0.435  -2.042  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1       -5.430   0.340  -2.618  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  15  20
ENDBRANCH  12  14
ENDBRANCH   7  12
BRANCH   1  24
ATOM     24  C   LIG    1        2.679  -0.225   2.137  0.00  0.00    +0.144 C 
BRANCH  24  26
ATOM     25  C   LIG    1        3.388  -2.251   0.768  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        3.818  -0.940   1.411  0.00  0.00    +0.020 C 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 7