REMARK  Name = BDB050427
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.408  -0.648  -0.775  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1       -0.004  -0.685  -0.660  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        0.799  -1.532  -1.422  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        2.161  -1.298  -1.041  0.00  0.00    -0.022 A 
ATOM      5  C   LIG    1        2.147  -0.319  -0.060  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        3.351  -1.994  -1.602  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1        0.179  -2.393  -2.350  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.212  -2.375  -2.488  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1        0.839   0.036   0.155  0.00  0.00    -0.357 N 
ATOM     10  H   LIG    1        0.523   0.729   0.821  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -1.989  -1.516  -1.715  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -2.674  -0.098   1.327  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -2.208   0.265   0.048  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -2.531   1.559  -0.412  0.00  0.00    -0.038 A 
ATOM     15  C   LIG    1       -2.094   2.053  -1.765  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -3.288   2.404   0.409  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -3.694   1.959   1.654  0.00  0.00    +0.117 A 
ATOM     18  N   LIG    1       -3.405   0.737   2.117  0.00  0.00    -0.237 NA
BRANCH  17  19
ATOM     19  N   LIG    1       -4.463   2.771   2.483  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1       -4.017   3.665   2.646  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1       -4.603   2.253   3.347  0.00  0.00    +0.144 HD
ENDBRANCH  17  19
BRANCH  12  23
ATOM     22  C   LIG    1       -3.575  -2.419   1.644  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1       -2.426  -1.463   1.926  0.00  0.00    +0.053 C 
ENDBRANCH  12  23
ENDBRANCH   1  13
BRANCH   5  24
ATOM     24  C   LIG    1        3.256   0.325   0.707  0.00  0.00    +0.081 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.848   1.522  -0.041  0.00  0.00    +0.165 C 
BRANCH  25  26
ATOM     26  O   LIG    1        4.799   2.228   0.759  0.00  0.00    -0.383 OA
ATOM     27  C   LIG    1        6.078   1.608   0.778  0.00  0.00    +0.194 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 6