REMARK  Name = BDB014215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.667  -0.005  -0.103  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        2.304   0.206  -0.323  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        1.862   1.264  -1.104  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1        0.448   1.223  -1.124  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        0.040   0.132  -0.373  0.00  0.00    +0.050 A 
ATOM      6  N   LIG    1        2.701   2.138  -1.708  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        4.014   1.894  -1.520  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1        1.187  -0.470   0.108  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        1.200  -1.315   0.672  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        4.544   0.867  -0.753  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.320  -0.406  -0.031  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1       -1.779   0.114   1.342  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.174  -0.393   1.716  0.00  0.00    +0.003 C 
ATOM     14  C   LIG    1       -4.199  -0.084   0.630  0.00  0.00    +0.000 C 
ATOM     15  C   LIG    1       -3.758  -0.618  -0.729  0.00  0.00    +0.003 C 
ATOM     16  C   LIG    1       -2.371  -0.098  -1.112  0.00  0.00    +0.041 C 
BRANCH  11  17
ATOM     17  O   LIG    1       -1.153  -1.823   0.061  0.00  0.00    -0.383 OA
ATOM     18  H   LIG    1       -0.973  -2.147  -0.839  0.00  0.00    +0.211 HD
ENDBRANCH  11  17
ENDBRANCH   5  11
BRANCH   1  20
ATOM     19  O   LIG    1        3.459  -2.161   0.855  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1        4.111  -1.137   0.734  0.00  0.00    +0.339 C 
BRANCH  20  21
ATOM     21  O   LIG    1        5.274  -0.917   1.381  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        5.576   0.009   1.387  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 4