REMARK  Name = BDB004662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.276  -0.619  -0.449  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1       -2.349   0.106   0.111  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -3.639  -0.425  -0.082  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -4.725   0.277   0.485  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -4.529   1.471   1.206  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -3.257   1.994   1.375  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -3.808  -1.564  -0.791  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1       -2.722  -2.152  -1.304  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -2.176   1.316   0.829  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -1.465  -1.736  -1.168  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -6.147  -0.176   0.368  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -7.067   0.458   0.872  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -6.410  -1.324  -0.318  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -7.368  -1.628  -0.417  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -5.662  -1.852  -0.758  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1        0.042  -0.148  -0.278  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        0.226  -0.014   0.713  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.081  -0.967  -0.891  0.00  0.00    +0.138 C 
BRANCH  18  22
ATOM     19  C   LIG    1        4.927   0.776   0.069  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        4.062   1.411  -0.825  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        2.822   0.848  -1.138  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        2.429  -0.366  -0.561  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.297  -0.996   0.341  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        4.539  -0.430   0.652  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1        7.030   0.820   1.177  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        6.106   1.434   0.286  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  22
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5