REMARK  Name = BDB034971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.596   2.179  -0.075  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -3.138   0.750   0.000  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -1.825   0.416  -0.332  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -1.484  -0.948  -0.228  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1       -0.182  -1.298  -0.553  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        0.751  -0.341  -0.963  0.00  0.00    -0.023 A 
ATOM      7  C   LIG    1        0.314   0.973  -1.029  0.00  0.00    +0.115 A 
ATOM      8  N   LIG    1       -2.339  -1.914   0.160  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -3.593  -1.565   0.473  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -0.943   1.363  -0.729  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -4.030  -0.251   0.408  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -4.466  -2.577   0.880  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -4.798  -2.386   1.820  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -5.270  -2.608   0.261  0.00  0.00    +0.144 HD
ENDBRANCH   9  12
BRANCH   6  15
ATOM     15  C   LIG    1        2.164  -0.720  -1.314  0.00  0.00    +0.073 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.191  -0.221  -0.334  0.00  0.00    -0.025 A 
ATOM     17  C   LIG    1        3.295  -0.771   0.942  0.00  0.00    +0.114 A 
ATOM     18  N   LIG    1        4.194  -0.372   1.869  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1        5.029   0.627   1.516  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        5.008   1.245   0.277  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.074   0.812  -0.660  0.00  0.00    +0.007 A 
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 3