REMARK  Name = BDB015744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.616  -0.415  -0.268  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -0.773  -1.299   0.291  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1        0.363  -0.813   0.808  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        0.635   0.542   0.802  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.290   1.377   0.211  0.00  0.00    +0.081 A 
ATOM      6  N   LIG    1       -1.438   0.911  -0.317  0.00  0.00    -0.194 NA
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.055   2.842   0.126  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.113   3.675   0.173  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.980   5.055   0.104  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.182   5.869   0.171  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        0.258   5.678  -0.025  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        0.441   6.891  -0.080  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        1.429   4.768  -0.105  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        1.264   3.441  -0.036  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   3  15
ATOM     15  N   LIG    1        1.332  -1.692   1.362  0.00  0.00    -0.314 N 
ATOM     16  C   LIG    1        0.673  -2.830   2.014  0.00  0.00    +0.131 C 
BRANCH  15  17
ATOM     17  C   LIG    1        2.276  -2.123   0.308  0.00  0.00    +0.141 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.285  -1.048  -0.037  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1        4.213  -0.609   0.920  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        5.131   0.394   0.607  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.134   0.967  -0.663  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.218   0.539  -1.623  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.298  -0.464  -1.313  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   3  15
BRANCH   1  24
ATOM     24  O   LIG    1       -2.821  -0.860  -0.798  0.00  0.00    -0.420 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -4.671  -2.442   0.669  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -3.810  -3.007  -0.423  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1       -2.889  -2.198  -1.105  0.00  0.00    +0.170 A 
ATOM     28  C   LIG    1       -2.107  -2.735  -2.132  0.00  0.00    +0.166 A 
ATOM     29  F   LIG    1       -1.257  -1.956  -2.818  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -2.202  -4.080  -2.468  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -3.096  -4.899  -1.780  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -3.897  -4.365  -0.765  0.00  0.00    +0.007 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6