REMARK  Name = BDB031526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.214   0.132   2.172  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  12
ATOM      2  C   LIG    1        7.156   0.880  -1.734  0.00  0.00    +0.049 C 
ATOM      3  C   LIG    1        5.882   0.564  -1.018  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1        5.572  -0.889  -0.818  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1        6.324  -1.771  -1.221  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1        4.407  -1.192  -0.162  0.00  0.00    -0.321 N 
ATOM      7  H   LIG    1        4.209  -2.175  -0.036  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1        3.521  -0.219   0.313  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1        3.807   1.132   0.130  0.00  0.00    +0.088 A 
ATOM     10  N   LIG    1        3.011   2.133   0.561  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1        1.875   1.761   1.198  0.00  0.00    +0.116 A 
ATOM     12  C   LIG    1        1.487   0.439   1.419  0.00  0.00    -0.013 A 
ATOM     13  C   LIG    1        2.350  -0.571   0.973  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        5.036   1.504  -0.563  0.00  0.00    +0.038 A 
ENDBRANCH   1  12
BRANCH   1  15
ATOM     15  N   LIG    1       -0.510  -1.034   1.637  0.00  0.00    -0.288 NA
ATOM     16  C   LIG    1       -1.465  -0.755   0.525  0.00  0.00    +0.096 C 
ATOM     17  C   LIG    1       -1.157   0.389  -0.425  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1       -2.605  -0.556   1.563  0.00  0.00    +0.204 C 
ATOM     19  C   LIG    1       -1.671  -1.346   2.512  0.00  0.00    +0.131 C 
BRANCH  18  20
ATOM     20  O   LIG    1       -3.878  -1.190   1.291  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.636  -0.666   0.280  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1       -4.812   0.690   0.044  0.00  0.00    +0.157 A 
ATOM     23  N   LIG    1       -5.577   1.188  -0.957  0.00  0.00    -0.241 NA
ATOM     24  C   LIG    1       -6.213   0.287  -1.747  0.00  0.00    +0.140 A 
ATOM     25  C   LIG    1       -6.114  -1.088  -1.571  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1       -5.314  -1.567  -0.534  0.00  0.00    +0.050 A 
BRANCH  24  27
ATOM     27  C   LIG    1       -7.022   0.833  -2.803  0.00  0.00    +0.119 C 
ATOM     28  N   LIG    1       -7.686   1.234  -3.668  0.00  0.00    -0.189 NA
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  15
TORSDOF 5