REMARK  Name = BDB002976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.221   2.354  -0.801  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -2.626   1.254   0.034  0.00  0.00    +0.046 A 
ATOM      3  N   LIG    1       -1.762   0.415  -0.645  0.00  0.00    -0.231 NA
ATOM      4  C   LIG    1       -1.206  -0.514   0.058  0.00  0.00    +0.187 A 
ATOM      5  N   LIG    1       -1.441  -0.686   1.406  0.00  0.00    -0.197 N 
ATOM      6  N   LIG    1       -0.727  -1.780   1.885  0.00  0.00    -0.274 N 
ATOM      7  H   LIG    1       -1.304  -2.454   2.387  0.00  0.00    +0.189 HD
ATOM      8  C   LIG    1       -0.097  -2.342   0.784  0.00  0.00    +0.140 A 
ATOM      9  C   LIG    1       -2.348   0.035   2.133  0.00  0.00    +0.273 A 
ATOM     10  O   LIG    1       -2.683  -0.170   3.294  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -0.263  -1.595  -0.334  0.00  0.00    +0.169 A 
ATOM     12  C   LIG    1       -2.948   1.129   1.336  0.00  0.00    +0.095 A 
ENDROOT
BRANCH   8  13
ATOM     13  N   LIG    1        0.590  -3.526   0.874  0.00  0.00    -0.342 N 
ATOM     14  H   LIG    1        1.099  -3.593   1.751  0.00  0.00    +0.144 HD
ATOM     15  H   LIG    1        1.196  -3.677   0.068  0.00  0.00    +0.144 HD
ENDBRANCH   8  13
BRANCH  11  16
ATOM     16  N   LIG    1        0.174  -1.832  -1.603  0.00  0.00    -0.142 NA
ATOM     17  N   LIG    1        1.177  -1.266  -2.109  0.00  0.00    -0.149 NA
BRANCH  17  18
ATOM     18  C   LIG    1        1.889  -0.322  -1.343  0.00  0.00    +0.086 A 
ATOM     19  C   LIG    1        1.537   1.032  -1.379  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        2.253   1.970  -0.634  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.339   1.563   0.139  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.715   0.220   0.161  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        2.996  -0.717  -0.583  0.00  0.00    +0.029 A 
ENDBRANCH  17  18
ENDBRANCH  11  16
TORSDOF 3