REMARK  Name = BDB012935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.884  -0.703   0.453  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.981  -0.100  -0.409  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.366  -0.638  -0.540  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.078   0.326  -1.498  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.392   1.655  -1.191  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        1.058   1.244  -0.968  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.548  -1.658   1.148  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        5.263   0.514   1.082  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        5.164   0.753  -0.232  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.950   0.281  -0.555  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.682   0.282  -1.532  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        3.218  -0.163   0.509  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.079  -0.072   1.586  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.734   0.117   1.300  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        6.511   0.855   1.847  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        6.761   2.364   1.878  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -2.513   0.381  -1.323  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -2.902   0.980  -0.607  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -3.304  -0.649  -1.778  0.00  0.00    +0.224 C 
ATOM     20  O   LIG    1       -2.902  -1.584  -2.457  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.746  -0.565  -1.348  0.00  0.00    +0.072 C 
ATOM     22  C   LIG    1       -5.803  -0.769  -2.433  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -5.581   0.600  -1.876  0.00  0.00    +0.022 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -5.057  -1.140   0.030  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -5.104  -2.526   0.235  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1       -5.373  -3.024   1.500  0.00  0.00    +0.111 A 
ATOM     27  N   LIG    1       -5.601  -2.246   2.576  0.00  0.00    -0.263 NA
ATOM     28  C   LIG    1       -5.550  -0.914   2.377  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1       -5.284  -0.327   1.149  0.00  0.00    +0.024 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 5