REMARK  Name = BDB060919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.024   0.718  -0.501  0.00  0.00    -0.008 A 
ATOM      2  C   LIG    1        2.140   1.185   0.412  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        0.891   0.537   0.622  0.00  0.00    +0.140 A 
ATOM      4  N   LIG    1        0.610  -0.587  -0.143  0.00  0.00    -0.288 N 
ATOM      5  C   LIG    1       -0.644  -1.041   0.250  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1       -1.071  -0.117   1.196  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1        1.504  -1.097  -1.086  0.00  0.00    +0.095 A 
ATOM      8  N   LIG    1       -0.093   0.824   1.442  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        2.682  -0.480  -1.280  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        6.019  -0.529  -0.227  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        5.592   0.834  -0.620  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        4.280   1.365  -0.725  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        4.472   2.674  -1.105  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        3.583   3.813  -1.401  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        5.807   2.910  -1.223  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        6.512   1.758  -0.927  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  N   LIG    1       -1.232  -2.142  -0.315  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -0.931  -2.366  -1.262  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.484  -3.386   0.454  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1       -2.987  -3.503   0.732  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -0.686  -3.479   1.764  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -1.066  -4.574  -0.439  0.00  0.00    +0.031 C 
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   6  23
ATOM     23  C   LIG    1       -2.379   0.006   1.903  0.00  0.00    +0.063 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.571   0.248   0.971  0.00  0.00    +0.041 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.563   1.602   0.300  0.00  0.00    -0.047 A 
ATOM     26  C   LIG    1       -3.995   2.742   0.990  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -3.979   3.993   0.370  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.528   4.115  -0.943  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.089   2.989  -1.636  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.105   1.738  -1.017  0.00  0.00    +0.003 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 6