REMARK  Name = BDB027048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.429  -0.705  -0.927  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.764  -1.971  -0.144  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.865  -3.225  -0.769  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.182  -4.367  -0.030  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.401  -4.272   1.342  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.300  -3.037   1.978  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.983  -1.895   1.242  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1        0.999  -0.794  -1.534  0.00  0.00    +0.186 C 
ATOM      9  O   LIG    1        1.275  -1.626  -2.405  0.00  0.00    -0.290 OA
BRANCH   8  16
ATOM     10  N   LIG    1        4.027   0.791  -0.288  0.00  0.00    -0.344 N 
ATOM     11  C   LIG    1        3.201   1.893  -0.200  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        1.944   1.501  -0.676  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.922   2.476  -0.743  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        1.168   3.780  -0.302  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        2.417   4.134   0.193  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        2.029   0.113  -1.023  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        3.455   3.201   0.248  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        3.340  -0.271  -0.808  0.00  0.00    +0.098 A 
BRANCH  10  19
ATOM     19  C   LIG    1        5.442   0.757   0.057  0.00  0.00    +0.150 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.681   0.489   1.543  0.00  0.00    +0.181 C 
BRANCH  20  22
ATOM     21  C   LIG    1        6.315  -1.811   1.593  0.00  0.00    +0.194 C 
ATOM     22  O   LIG    1        5.337  -0.840   1.940  0.00  0.00    -0.381 OA
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  10  19
ENDBRANCH   8  16
ENDBRANCH   1   8
BRANCH   1  23
ATOM     23  N   LIG    1       -1.383  -0.404  -2.026  0.00  0.00    -0.303 NA
ATOM     24  H   LIG    1       -1.287  -1.145  -2.724  0.00  0.00    +0.123 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.789  -0.302  -1.619  0.00  0.00    +0.086 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.086   0.872  -0.675  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.559   0.966  -0.351  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1       -5.388   1.850  -1.055  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -6.751   1.924  -0.763  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -7.292   1.111   0.231  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       -8.972   1.202   0.590  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1       -6.481   0.223   0.935  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -5.117   0.150   0.643  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 10