REMARK  Name = BDB060080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.548  -1.994   0.576  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.658  -0.911   0.516  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.466  -1.110  -0.194  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.147  -2.323  -0.797  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.072  -2.258  -1.418  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.526  -1.037  -1.199  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -1.040  -3.401  -0.703  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.612  -0.302  -0.474  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        0.758   1.075  -0.064  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -2.241  -3.225  -0.004  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.739  -1.917   1.270  0.00  0.00    -0.456 OA
BRANCH  11  18
ATOM     12  C   LIG    1       -6.043   1.198  -1.781  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1       -5.690   0.694  -0.414  0.00  0.00    +0.042 A 
ATOM     14  N   LIG    1       -6.230   1.344   0.645  0.00  0.00    -0.257 NA
ATOM     15  C   LIG    1       -5.943   0.891   1.889  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -6.570   1.613   3.044  0.00  0.00    +0.066 C 
ATOM     17  C   LIG    1       -5.110  -0.195   2.116  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -4.542  -0.829   1.018  0.00  0.00    +0.132 A 
ATOM     19  C   LIG    1       -4.848  -0.400  -0.270  0.00  0.00    +0.069 A 
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1        2.837  -0.506  -1.685  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.553  -0.038  -0.541  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.795   0.492  -0.757  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        5.443   0.930   0.401  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        6.723   1.491   0.320  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        7.345   1.646  -0.920  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        6.699   1.206  -2.075  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.429   0.625  -1.994  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.429   1.965   1.530  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        8.074   2.998   1.561  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        7.318   1.117   2.573  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        6.915   0.254   2.357  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7