REMARK  Name = BDB035031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.915  -0.591   1.494  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1       -1.946   0.201   0.912  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1       -1.437   1.471   0.673  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1       -2.214   2.465   0.086  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -3.530   2.111  -0.240  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -3.974   0.807   0.033  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1       -4.426   3.136  -0.877  0.00  0.00    +0.047 C 
ATOM      8  N   LIG    1       -0.133   1.469   1.095  0.00  0.00    -0.355 N 
ATOM      9  H   LIG    1        0.522   2.236   0.991  0.00  0.00    +0.166 HD
ATOM     10  N   LIG    1       -3.214  -0.145   0.593  0.00  0.00    -0.230 NA
ATOM     11  C   LIG    1        0.188   0.246   1.639  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -2.273  -2.739   1.822  0.00  0.00    +0.092 C 
ATOM     13  C   LIG    1       -0.956  -2.006   1.859  0.00  0.00    +0.164 C 
ATOM     14  O   LIG    1        0.072  -2.610   2.176  0.00  0.00    -0.292 OA
ENDBRANCH   1  13
BRANCH   6  15
ATOM     15  N   LIG    1       -5.287   0.424  -0.287  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -5.436   0.535  -1.284  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -5.942   1.024   0.204  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
BRANCH  11  18
ATOM     18  C   LIG    1        1.544   0.011   2.203  0.00  0.00    +0.158 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.357  -0.552   1.158  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1        2.187  -1.529   0.955  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        2.970   0.249   0.220  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        2.920   1.476   0.251  0.00  0.00    -0.270 OA
BRANCH  21  23
ATOM     23  C   LIG    1        3.674  -0.450  -0.893  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        3.864   0.240  -2.097  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        4.518  -0.375  -3.166  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.993  -1.680  -3.033  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.820  -2.368  -1.832  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.165  -1.755  -0.761  0.00  0.00    +0.013 A 
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH  11  18
TORSDOF 5