REMARK  Name = BDB041119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.944  -0.897   1.076  0.00  0.00    +0.166 A 
ATOM      2  C   LIG    1       -2.443  -0.671   2.353  0.00  0.00    +0.192 A 
ATOM      3  C   LIG    1       -3.800  -0.529   2.578  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1       -3.951  -0.315   3.966  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1       -2.679  -0.337   4.497  0.00  0.00    +0.198 A 
ATOM      6  N   LIG    1       -4.720  -0.595   1.594  0.00  0.00    -0.224 NA
ATOM      7  C   LIG    1       -4.178  -0.803   0.378  0.00  0.00    +0.163 A 
ATOM      8  O   LIG    1       -1.751  -0.549   3.523  0.00  0.00    -0.458 OA
ATOM      9  N   LIG    1       -2.863  -0.963   0.083  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -5.109  -0.928  -0.749  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -5.833   0.150  -1.315  0.00  0.00    -0.034 A 
ATOM     12  C   LIG    1       -6.727  -0.125  -2.377  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -6.889  -1.412  -2.889  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -6.162  -2.462  -2.352  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.284  -2.221  -1.296  0.00  0.00    +0.012 A 
BRANCH  11  16
ATOM     16  C   LIG    1       -5.739   1.611  -0.877  0.00  0.00    +0.014 C 
ATOM     17  C   LIG    1       -4.322   2.147  -0.656  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -6.644   1.904   0.322  0.00  0.00    +0.012 C 
ENDBRANCH  11  16
ENDBRANCH   7  10
BRANCH   1  19
ATOM     19  N   LIG    1       -0.585  -1.059   0.821  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1       -0.011  -0.679   1.568  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -0.163  -0.707  -0.521  0.00  0.00    +0.138 C 
BRANCH  21  25
ATOM     22  C   LIG    1        4.152  -0.928  -0.702  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        3.519   0.313  -0.680  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        2.122   0.386  -0.623  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        1.345  -0.781  -0.598  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        1.992  -2.023  -0.618  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        3.386  -2.094  -0.674  0.00  0.00    +0.046 A 
BRANCH  22  28
ATOM     28  O   LIG    1        5.510  -1.123  -0.759  0.00  0.00    -0.489 OA
BRANCH  28  31
ATOM     29  C   LIG    1        8.046   0.718   0.586  0.00  0.00    +0.125 C 
ATOM     30  C   LIG    1        6.534   0.570   0.849  0.00  0.00    +0.076 C 
ATOM     31  C   LIG    1        6.389   0.007  -0.586  0.00  0.00    +0.178 C 
ATOM     32  C   LIG    1        7.892  -0.356  -0.511  0.00  0.00    +0.076 C 
BRANCH  29  34
ATOM     33  C   LIG    1        9.859   2.202  -0.058  0.00  0.00    +0.194 C 
ATOM     34  O   LIG    1        8.463   2.030   0.145  0.00  0.00    -0.380 OA
ENDBRANCH  29  34
ENDBRANCH  28  31
ENDBRANCH  22  28
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 8