REMARK  Name = BDB028172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.488  -0.657  -0.114  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        0.579   0.168   0.281  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        1.899  -0.299   0.213  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.146  -1.583  -0.268  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        3.536  -2.056  -0.379  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.509  -1.161  -0.009  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.474  -1.468  -0.081  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.303   0.090   0.483  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        3.796  -3.181  -0.789  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        1.090  -2.413  -0.660  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.078   0.511   0.613  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.224  -1.950  -0.579  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -2.908  -0.744  -2.376  0.00  0.00    +0.068 C 
ATOM     14  C   LIG    1       -2.914  -0.206  -0.992  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -1.853  -0.172  -0.046  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -2.395   0.450   1.059  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1       -3.689   0.734   0.739  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1       -4.671   1.379   1.576  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1       -4.032   0.347  -0.501  0.00  0.00    -0.176 NA
ENDBRANCH   1  15
BRANCH  11  20
ATOM     20  C   LIG    1        2.884   1.914   1.186  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.937   2.896   0.102  0.00  0.00    -0.325 NA
ATOM     22  H   LIG    1        3.858   2.831  -0.339  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1        2.266   2.658  -0.627  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH  11  20
TORSDOF 3