REMARK  Name = BDB007682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.573   1.263   0.007  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1        0.446   0.339   0.177  0.00  0.00    -0.308 N 
ATOM      3  H   LIG    1        0.307  -0.628  -0.102  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.440   2.472   0.196  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.752  -0.628  -0.167  0.00  0.00    +0.123 A 
ATOM      6  N   LIG    1       -4.144  -0.337  -1.419  0.00  0.00    -0.221 NA
ATOM      7  C   LIG    1       -3.362   0.487  -2.138  0.00  0.00    +0.224 A 
ATOM      8  N   LIG    1       -2.216   1.031  -1.727  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -1.857   0.697  -0.472  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1       -2.580  -0.128   0.359  0.00  0.00    +0.076 A 
BRANCH   5  11
ATOM     11  N   LIG    1       -4.520  -1.485   0.631  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -4.718  -1.043   1.527  0.00  0.00    +0.148 HD
BRANCH  11  17
ATOM     13  C   LIG    1       -9.529  -0.045  -0.862  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -9.363  -1.436  -0.300  0.00  0.00    +0.213 C 
ATOM     15  N   LIG    1       -8.076  -1.840  -0.031  0.00  0.00    -0.300 N 
ATOM     16  C   LIG    1       -6.852  -1.084  -0.261  0.00  0.00    +0.130 C 
ATOM     17  C   LIG    1       -5.707  -2.076   0.010  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -6.352  -3.075   0.978  0.00  0.00    +0.043 C 
ATOM     19  C   LIG    1       -7.788  -3.163   0.488  0.00  0.00    +0.109 C 
ATOM     20  O   LIG    1      -10.337  -2.164  -0.107  0.00  0.00    -0.276 OA
ENDBRANCH  11  17
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  21
ATOM     21  C   LIG    1        1.803   0.772   0.503  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.464   1.518  -0.671  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.574   0.656  -1.816  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        1.659   0.467  -2.092  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        3.838   2.134  -0.306  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.872   1.270   0.323  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        6.027   2.137   0.686  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        7.352   1.433   0.907  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        7.524   0.077   0.583  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        8.784  -0.523   0.734  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        9.877   0.225   1.174  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        9.713   1.574   1.484  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.333  -0.717   0.112  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        8.459   2.174   1.358  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        5.308   0.190  -0.585  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 8