REMARK  Name = BDB013669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.291  -0.132   0.184  0.00  0.00    +0.166 A 
ATOM      2  C   LIG    1        2.002  -0.289  -1.112  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        3.372  -0.197  -1.128  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        4.028  -0.349  -2.350  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        3.275  -0.582  -3.500  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        1.893  -0.651  -3.385  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        4.088   0.066   0.122  0.00  0.00    +0.276 A 
ATOM      8  O   LIG    1        5.315   0.120   0.101  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1        3.306   0.248   1.258  0.00  0.00    -0.230 N 
ATOM     10  C   LIG    1        3.935   0.487   2.544  0.00  0.00    +0.176 C 
ATOM     11  N   LIG    1        1.230  -0.506  -2.217  0.00  0.00    -0.251 NA
ATOM     12  N   LIG    1        1.937   0.128   1.286  0.00  0.00    -0.151 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -0.084  -0.270   0.169  0.00  0.00    -0.322 N 
ATOM     14  H   LIG    1       -0.499  -0.214  -0.769  0.00  0.00    +0.148 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -2.377   0.650   0.555  0.00  0.00    +0.076 C 
ATOM     16  C   LIG    1       -0.965   0.304   1.189  0.00  0.00    +0.089 C 
ATOM     17  C   LIG    1       -1.085  -0.679   2.358  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -1.715  -2.012   1.940  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -2.787  -1.859   0.859  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -3.402  -0.468   0.894  0.00  0.00    +0.021 C 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.498   1.011  -1.637  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -2.233   0.989  -0.900  0.00  0.00    -0.304 NA
ATOM     23  C   LIG    1       -1.576   2.298  -1.062  0.00  0.00    +0.104 C 
ENDBRANCH  15  22
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 3