REMARK  Name = BDB018754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.906  -1.074   0.369  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.000  -0.097  -0.079  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -1.303  -0.442  -0.462  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.252   0.587  -1.017  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -3.712   0.228  -0.714  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1       -4.048   0.381   0.781  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1       -5.396   1.025   0.847  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -5.924   1.154  -0.532  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1       -3.968  -1.220  -1.137  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1       -2.991  -2.129  -0.818  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -3.225  -3.103  -0.973  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -5.013  -1.598  -1.660  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.675   1.201  -1.399  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -1.701  -1.779  -0.411  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -0.816  -2.767   0.009  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        0.477  -2.412   0.405  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1        4.439   0.346   0.272  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        3.131  -0.019  -0.096  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        2.271  -0.708   0.779  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        2.753  -1.035   2.052  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        4.047  -0.682   2.431  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.885   0.004   1.546  0.00  0.00    +0.023 A 
BRANCH  17  25
ATOM     23  C   LIG    1        7.369   1.531   0.407  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1        6.433   1.566  -0.761  0.00  0.00    +0.214 C 
ATOM     25  N   LIG    1        5.184   1.029  -0.708  0.00  0.00    -0.286 N 
ATOM     26  H   LIG    1        4.716   1.174  -1.596  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1        6.783   2.100  -1.819  0.00  0.00    -0.276 OA
ENDBRANCH  17  25
ENDBRANCH   1  19
BRANCH   7  28
ATOM     28  C   LIG    1       -6.170   1.015   1.941  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1       -6.832   1.003   2.890  0.00  0.00    -0.174 NA
ENDBRANCH   7  28
TORSDOF 3