REMARK  Name = BDB013668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.028   1.692  -2.629  0.00  0.00    +0.176 C 
ATOM      2  N   LIG    1       -2.703   0.819  -1.515  0.00  0.00    -0.230 N 
ATOM      3  C   LIG    1       -3.719   0.249  -0.754  0.00  0.00    +0.276 A 
ATOM      4  O   LIG    1       -4.919   0.440  -0.933  0.00  0.00    -0.266 OA
ATOM      5  C   LIG    1       -3.301  -0.634   0.336  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -1.963  -0.877   0.530  0.00  0.00    +0.117 A 
ATOM      7  N   LIG    1       -1.454  -1.668   1.520  0.00  0.00    -0.251 NA
ATOM      8  C   LIG    1       -2.359  -2.241   2.342  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -3.731  -2.061   2.224  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -0.982  -0.236  -0.384  0.00  0.00    +0.166 A 
ATOM     11  C   LIG    1       -4.210  -1.242   1.202  0.00  0.00    +0.017 A 
ATOM     12  N   LIG    1       -1.363   0.562  -1.341  0.00  0.00    -0.151 NA
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        0.351  -0.527  -0.173  0.00  0.00    -0.322 N 
ATOM     14  H   LIG    1        0.549  -0.991   0.716  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.451   0.320  -0.635  0.00  0.00    +0.088 C 
ATOM     16  C   LIG    1        2.763  -0.533  -0.700  0.00  0.00    +0.071 C 
ATOM     17  C   LIG    1        3.990   0.330  -0.395  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1        3.937   0.972   0.994  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1        2.519   1.318   1.453  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1        1.578   1.555   0.277  0.00  0.00    +0.024 C 
BRANCH  16  21
ATOM     21  N   LIG    1        2.745  -1.703   0.209  0.00  0.00    -0.326 NA
ATOM     22  H   LIG    1        1.959  -2.293  -0.074  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1        3.583  -2.261   0.049  0.00  0.00    +0.119 HD
ENDBRANCH  16  21
ENDBRANCH  13  15
ENDBRANCH  10  13
TORSDOF 3