REMARK  Name = BDB004545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.092  -1.072   0.889  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -2.768  -1.512   0.673  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -1.790  -0.531   0.422  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.470  -0.989   0.224  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -0.155  -2.293   0.237  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.151  -3.144   0.473  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -2.150   0.840   0.366  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -3.459   1.251   0.578  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -2.429  -2.821   0.701  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -4.426   0.296   0.844  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -4.986  -3.343   1.194  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -5.745  -3.977   1.396  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -4.051  -3.705   1.032  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -5.229  -2.002   1.176  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -6.362  -1.583   1.391  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.561  -0.048  -0.008  0.00  0.00    -0.328 N 
ATOM     17  H   LIG    1        0.563   0.603   0.773  0.00  0.00    +0.147 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.887  -0.623  -0.235  0.00  0.00    +0.106 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.910   0.463  -0.608  0.00  0.00    +0.008 C 
ATOM     20  C   LIG    1        3.132   1.498   0.501  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1        4.236   2.487   0.110  0.00  0.00    +0.081 C 
ATOM     22  N   LIG    1        4.246   2.870  -1.305  0.00  0.00    -0.316 NA
ATOM     23  H   LIG    1        4.956   2.324  -1.794  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1        2.955   2.642  -1.949  0.00  0.00    +0.081 C 
ATOM     25  C   LIG    1        2.577   1.159  -1.944  0.00  0.00    +0.020 C 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4