REMARK  Name = BDB003843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.097  -0.809  -0.938  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1        1.163  -0.494  -1.842  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        2.049  -0.316  -0.590  0.00  0.00    +0.087 C 
ATOM      4  C   LIG    1        3.082   0.837  -0.591  0.00  0.00    +0.232 C 
ATOM      5  O   LIG    1        2.917   1.984  -0.990  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1        4.264   0.342  -0.104  0.00  0.00    -0.230 N 
ATOM      7  C   LIG    1        4.224  -1.004   0.156  0.00  0.00    +0.224 C 
ATOM      8  O   LIG    1        5.150  -1.686   0.565  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        2.844  -1.538  -0.143  0.00  0.00    +0.115 C 
ATOM     10  C   LIG    1        0.711  -0.081   0.139  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        5.454   1.171   0.065  0.00  0.00    +0.170 C 
ATOM     12  C   LIG    1        5.914   1.112   1.520  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        5.149   1.307   2.464  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.230   0.796   1.741  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        7.509   0.766   2.713  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        8.052   0.089   0.902  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        9.105  -0.390   1.314  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.575  -0.125  -0.513  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.568   0.923  -0.951  0.00  0.00    +0.041 C 
ENDBRANCH   6  11
BRANCH   1  22
ATOM     20  C   LIG    1       -3.461  -0.401  -0.485  0.00  0.00    +0.150 A 
ATOM     21  N   LIG    1       -2.126  -0.416  -0.230  0.00  0.00    -0.225 NA
ATOM     22  C   LIG    1       -1.281  -0.781  -1.216  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -1.752  -1.153  -2.473  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1       -3.120  -1.136  -2.730  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -3.994  -0.752  -1.721  0.00  0.00    +0.035 A 
BRANCH  20  26
ATOM     26  C   LIG    1       -4.328   0.026   0.665  0.00  0.00    +0.358 C 
ATOM     27  O   LIG    1       -3.906   0.355   1.761  0.00  0.00    -0.243 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -5.635  -0.013   0.295  0.00  0.00    -0.454 OA
BRANCH  28  30
ATOM     29  C   LIG    1       -6.708  -0.591   2.437  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -6.681   0.355   1.232  0.00  0.00    +0.106 C 
ATOM     31  C   LIG    1       -7.987   0.181   0.442  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -6.558   1.823   1.656  0.00  0.00    +0.055 C 
ENDBRANCH  28  30
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH   1  22
TORSDOF 5