REMARK  Name = BDB012750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.220  -0.041   0.599  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.447   1.127  -0.013  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.931   0.654  -0.080  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        1.940   1.521  -0.460  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        1.674   2.688  -0.756  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.985  -0.792   0.072  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.470  -1.248   0.028  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1       -4.982   0.145   0.969  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -3.626   0.118   1.301  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -2.691  -0.017   0.284  0.00  0.00    +0.047 A 
ATOM     11  N   LIG    1       -3.056  -0.120  -1.016  0.00  0.00    -0.256 NA
ATOM     12  C   LIG    1       -4.373  -0.092  -1.329  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -4.736  -0.206  -2.779  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1       -5.365   0.039  -0.368  0.00  0.00    +0.038 A 
BRANCH   8  15
ATOM     15  C   LIG    1       -5.968   0.288   2.071  0.00  0.00    +0.339 C 
ATOM     16  O   LIG    1       -5.652   0.364   3.247  0.00  0.00    -0.245 OA
BRANCH  15  18
ATOM     17  C   LIG    1       -8.239   0.457   2.589  0.00  0.00    +0.280 C 
ATOM     18  O   LIG    1       -7.233   0.318   1.583  0.00  0.00    -0.464 OA
ENDBRANCH  15  18
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  C   LIG    1        3.307   1.062  -0.520  0.00  0.00    +0.121 A 
ATOM     20  N   LIG    1        4.254   1.817  -1.164  0.00  0.00    -0.272 N 
ATOM     21  H   LIG    1        4.101   2.707  -1.627  0.00  0.00    +0.189 HD
ATOM     22  N   LIG    1        5.487   1.286  -1.162  0.00  0.00    -0.178 NA
ATOM     23  C   LIG    1        5.351   0.162  -0.451  0.00  0.00    +0.066 A 
ATOM     24  C   LIG    1        4.012  -0.016  -0.022  0.00  0.00    +0.057 A 
BRANCH  23  25
ATOM     25  C   LIG    1        6.525  -0.736  -0.182  0.00  0.00    +0.033 C 
ATOM     26  C   LIG    1        7.112  -1.306  -1.475  0.00  0.00    +0.014 C 
ATOM     27  C   LIG    1        7.607  -0.029   0.636  0.00  0.00    +0.014 C 
ENDBRANCH  23  25
ENDBRANCH   4  19
TORSDOF 5