REMARK  Name = BDB019557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.301   0.038   1.371  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        0.080  -0.080   1.148  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.769   0.875   0.390  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.079   1.974  -0.138  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.300   2.117   0.067  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.975   1.143   0.822  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.742  -1.256   3.499  0.00  0.00    +0.146 A 
ATOM      8  C   LIG    1       -2.035  -0.978   2.149  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -3.067  -1.702   1.531  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -3.755  -2.659   2.257  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -3.492  -2.946   3.545  0.00  0.00    -0.260 NA
ATOM     12  C   LIG    1       -2.496  -2.240   4.134  0.00  0.00    +0.156 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -0.497  -0.745   5.468  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -0.738  -0.530   4.082  0.00  0.00    -0.493 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  C   LIG    1        2.234   0.780   0.141  0.00  0.00    +0.244 C 
ATOM     16  N   LIG    1        2.779  -0.486   0.146  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        2.163  -1.286   0.119  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        2.882   1.795  -0.090  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1        4.163  -0.711  -0.202  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.296  -1.091  -1.655  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        4.336  -2.438  -2.044  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        4.436  -2.786  -3.396  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1        4.483  -4.469  -3.788  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        4.489  -1.787  -4.373  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1        4.611  -2.143  -6.059  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        4.441  -0.443  -3.993  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        4.342  -0.098  -2.643  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  28
ATOM     28  C   LIG    1       -2.039   3.300  -0.507  0.00  0.00    +0.157 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -3.017   2.893  -1.500  0.00  0.00    -0.332 N 
ATOM     30  C   LIG    1       -2.738   2.428  -2.755  0.00  0.00    +0.199 A 
ATOM     31  N   LIG    1       -3.838   2.163  -3.422  0.00  0.00    -0.244 NA
ATOM     32  C   LIG    1       -4.864   2.478  -2.570  0.00  0.00    +0.130 A 
ATOM     33  C   LIG    1       -4.377   2.939  -1.369  0.00  0.00    +0.107 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7