REMARK  Name = BDB049931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.602  -1.282   0.180  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -1.500  -0.410  -0.391  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1       -1.599  -0.189  -1.374  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -2.259   0.158   0.601  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -1.798  -0.435   1.764  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -2.383  -0.085   2.989  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.422   0.854   2.994  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.865   1.444   1.804  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.279   1.117   0.569  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -0.781  -1.315   1.492  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -3.676   1.706  -0.735  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -3.244   1.254  -1.791  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -4.505   2.791  -0.728  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -4.691   3.340   0.098  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -4.671   3.235  -1.623  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  16
ATOM     16  C   LIG    1        0.441  -2.068  -0.624  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1       -0.064  -2.334  -2.065  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1        0.561  -3.454   0.070  0.00  0.00    +0.036 C 
BRANCH  16  20
ATOM     19  C   LIG    1        2.863  -2.104  -1.230  0.00  0.00    +0.105 C 
ATOM     20  N   LIG    1        1.765  -1.371  -0.600  0.00  0.00    -0.293 NA
BRANCH  20  21
ATOM     21  C   LIG    1        1.759   0.035  -1.041  0.00  0.00    +0.091 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.890   0.986   0.150  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1        1.937   2.448  -0.264  0.00  0.00    +0.164 C 
ATOM     24  O   LIG    1        2.616   3.156   0.785  0.00  0.00    -0.379 OA
ATOM     25  C   LIG    1        3.216   2.191   1.663  0.00  0.00    +0.160 C 
ATOM     26  C   LIG    1        3.176   0.861   0.942  0.00  0.00    +0.035 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 5