REMARK  Name = BDB061440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.545  -1.532  -0.622  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -0.182  -1.620  -0.528  0.00  0.00    +0.161 A 
ATOM      3  C   LIG    1        0.087  -2.979  -0.572  0.00  0.00    +0.108 A 
ATOM      4  C   LIG    1        1.422  -3.378  -0.497  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        2.382  -2.367  -0.377  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        1.991  -1.019  -0.334  0.00  0.00    +0.074 A 
ATOM      7  N   LIG    1       -1.070  -3.705  -0.687  0.00  0.00    -0.231 NA
ATOM      8  N   LIG    1        0.697  -0.606  -0.413  0.00  0.00    -0.227 NA
ATOM      9  C   LIG    1       -2.046  -2.813  -0.714  0.00  0.00    +0.109 A 
ATOM     10  C   LIG    1       -3.494  -3.127  -0.826  0.00  0.00    +0.086 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        2.977   0.071  -0.201  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        4.106  -0.040   0.619  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        4.999   1.018   0.698  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        4.844   2.162   0.015  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        3.755   2.280  -0.761  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1        2.812   1.274  -0.897  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  N   LIG    1        6.140   0.916   1.492  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        5.910   0.683   2.451  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        6.624   1.809   1.427  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1        3.624   3.472  -1.472  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        4.393   4.074  -1.190  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        2.722   3.904  -1.313  0.00  0.00    +0.144 HD
ENDBRANCH  15  20
ENDBRANCH   6  11
BRANCH   1  23
ATOM     23  C   LIG    1       -2.295  -0.291  -0.624  0.00  0.00    +0.127 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.609   0.187   0.792  0.00  0.00    +0.050 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.350   1.517   0.781  0.00  0.00    +0.161 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -5.338   2.558   0.063  0.00  0.00    +0.193 C 
ATOM     27  O   LIG    1       -4.584   1.352   0.085  0.00  0.00    -0.383 OA
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7