REMARK  Name = BDB003656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.454  -0.373   1.429  0.00  0.00    +0.181 A 
ATOM      2  N   LIG    1       -1.547   0.923   1.100  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -2.405   1.246   0.134  0.00  0.00    +0.222 A 
ATOM      4  N   LIG    1       -3.148   0.328  -0.506  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -3.049  -0.972  -0.174  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1       -2.200  -1.360   0.832  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.505   2.568  -0.259  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -3.642   2.915  -1.117  0.00  0.00    +0.136 C 
ATOM      9  C   LIG    1       -3.643   4.427  -1.384  0.00  0.00    +0.179 C 
ATOM     10  O   LIG    1       -3.756   5.220  -0.192  0.00  0.00    -0.377 OA
ATOM     11  C   LIG    1       -3.204   4.583   0.972  0.00  0.00    +0.179 C 
ATOM     12  C   LIG    1       -2.050   3.615   0.664  0.00  0.00    +0.136 C 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  N   LIG    1       -3.856  -1.891  -0.834  0.00  0.00    -0.311 N 
ATOM     14  C   LIG    1       -4.822  -1.346  -1.803  0.00  0.00    +0.134 C 
ATOM     15  C   LIG    1       -5.697  -2.487  -2.344  0.00  0.00    +0.178 C 
ATOM     16  O   LIG    1       -4.958  -3.518  -3.020  0.00  0.00    -0.377 OA
ATOM     17  C   LIG    1       -3.581  -3.582  -2.628  0.00  0.00    +0.178 C 
ATOM     18  C   LIG    1       -3.339  -3.235  -1.148  0.00  0.00    +0.134 C 
ENDBRANCH   5  13
BRANCH   1  20
ATOM     19  N   LIG    1        0.655  -0.568   2.335  0.00  0.00    -0.181 NA
ATOM     20  N   LIG    1       -0.585  -0.711   2.482  0.00  0.00    -0.134 NA
BRANCH  19  21
ATOM     21  C   LIG    1        1.247  -0.029   1.098  0.00  0.00    +0.201 C 
BRANCH  21  25
ATOM     22  C   LIG    1        5.563  -0.491   1.121  0.00  0.00    -0.045 A 
ATOM     23  C   LIG    1        4.774  -1.191   0.197  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        3.384  -1.046   0.187  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        2.751  -0.196   1.101  0.00  0.00    -0.024 A 
ATOM     26  C   LIG    1        3.535   0.501   2.029  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        4.925   0.355   2.038  0.00  0.00    +0.004 A 
BRANCH  22  29
ATOM     28  C   LIG    1        7.711  -0.190  -0.167  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        7.074  -0.634   1.152  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1        7.495  -2.062   1.507  0.00  0.00    +0.012 C 
ENDBRANCH  22  29
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH   1  20
TORSDOF 6