REMARK  Name = BDB032218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.820  -1.248   0.186  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1        1.265  -1.488  -1.020  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -0.085  -1.572  -1.062  0.00  0.00    +0.119 A 
ATOM      4  C   LIG    1       -0.914  -1.422   0.044  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1       -0.300  -1.172   1.276  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        1.087  -1.081   1.349  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        3.191  -1.144   0.308  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1        3.889  -1.411  -0.910  0.00  0.00    +0.231 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.390  -1.290  -0.657  0.00  0.00    +0.049 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.782   0.124  -0.223  0.00  0.00    +0.078 C 
BRANCH  10  13
ATOM     11  C   LIG    1        7.139   2.480   1.174  0.00  0.00    +0.150 C 
ATOM     12  N   LIG    1        7.833   1.351   0.606  0.00  0.00    -0.337 N 
ATOM     13  C   LIG    1        7.259   0.273  -0.029  0.00  0.00    +0.109 A 
ATOM     14  N   LIG    1        8.192  -0.566  -0.438  0.00  0.00    -0.241 NA
ATOM     15  C   LIG    1        9.387  -0.022  -0.049  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1        9.188   1.171   0.602  0.00  0.00    +0.106 A 
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1       -2.409  -1.540  -0.080  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.034  -0.288   0.327  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1       -2.526   0.527  -0.010  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.418  -0.128   0.204  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -4.949   1.168   0.272  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -6.335   1.417   0.222  0.00  0.00    -0.011 A 
ATOM     23  C   LIG    1       -7.237   0.340   0.131  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1       -8.620   0.648   0.083  0.00  0.00    +0.124 A 
ATOM     25  N   LIG    1       -9.094   1.906   0.121  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1       -8.202   2.910   0.214  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1       -6.702  -0.967   0.105  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -6.834   2.721   0.267  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -5.319  -1.192   0.156  0.00  0.00    +0.023 A 
BRANCH  24  30
ATOM     30  N   LIG    1       -9.589  -0.365  -0.005  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1       -9.426  -0.910  -0.845  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       -9.507  -0.974   0.802  0.00  0.00    +0.144 HD
ENDBRANCH  24  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 9