REMARK  Name = BDB019774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.917   2.201   1.018  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.391   1.697   1.057  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.750   0.572   0.304  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.208  -0.072  -0.489  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.518   0.424  -0.558  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1        1.860   1.554   0.203  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        1.256   2.082   4.006  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        1.462   3.342   3.209  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1        1.295   3.376   1.811  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        1.512   4.604   1.178  0.00  0.00    +0.119 A 
ATOM     11  N   LIG    1        1.860   5.753   1.805  0.00  0.00    -0.263 NA
ATOM     12  C   LIG    1        1.996   5.684   3.143  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1        1.808   4.524   3.878  0.00  0.00    +0.023 A 
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1       -2.148   0.073   0.410  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1       -2.666  -0.526  -0.717  0.00  0.00    -0.308 N 
ATOM     16  H   LIG    1       -2.130  -0.556  -1.570  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1       -2.772   0.233   1.452  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -3.992  -1.106  -0.738  0.00  0.00    +0.079 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.612  -0.816  -2.080  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1       -5.170   0.554  -2.379  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1       -6.102  -0.612  -2.206  0.00  0.00    +0.006 C 
ENDBRANCH  18  19
BRANCH  18  22
ATOM     22  C   LIG    1       -3.865  -2.590  -0.509  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1       -3.745  -3.141   0.891  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -5.003  -3.370   0.100  0.00  0.00    +0.006 C 
ENDBRANCH  18  22
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  25
ATOM     25  C   LIG    1        2.566  -0.279  -1.388  0.00  0.00    +0.139 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.354  -1.144  -0.537  0.00  0.00    -0.313 N 
ATOM     27  H   LIG    1        2.786  -1.650   0.137  0.00  0.00    +0.149 HD
BRANCH  26  28
ATOM     28  C   LIG    1        4.294  -1.970  -1.041  0.00  0.00    +0.176 C 
ATOM     29  N   LIG    1        5.110  -1.485  -2.011  0.00  0.00    -0.316 N 
ATOM     30  H   LIG    1        5.412  -0.535  -1.834  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        6.188  -2.442  -2.166  0.00  0.00    +0.127 C 
ATOM     32  C   LIG    1        5.605  -3.677  -1.473  0.00  0.00    +0.163 C 
ATOM     33  N   LIG    1        4.480  -3.190  -0.628  0.00  0.00    -0.255 NA
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 8