REMARK  Name = BDB062343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.519  -0.213  -0.211  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.698   0.088   0.284  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.711  -0.115  -0.560  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -3.075   0.109  -0.321  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -3.803  -0.238  -1.480  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.852  -0.676  -2.426  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -3.129  -1.131  -3.757  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -5.010  -0.177  -1.644  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.590  -0.592  -1.843  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.336  -0.875  -2.274  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        0.729  -0.688  -1.464  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.602   0.615   0.933  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -4.540  -0.388   1.612  0.00  0.00    +0.053 C 
ATOM     14  C   LIG    1       -5.087   0.206   2.902  0.00  0.00    +0.162 C 
ATOM     15  O   LIG    1       -5.742   1.448   2.653  0.00  0.00    -0.380 OA
ATOM     16  C   LIG    1       -4.867   2.429   2.098  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -4.308   1.963   0.762  0.00  0.00    +0.053 C 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  N   LIG    1        1.569  -0.005   0.681  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        1.183   0.351   1.542  0.00  0.00    +0.155 HD
BRANCH  18  22
ATOM     20  C   LIG    1        3.140   0.487   3.079  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        3.752   0.110   1.755  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1        2.964  -0.116   0.606  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        3.632  -0.476  -0.572  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        5.035  -0.599  -0.629  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.813  -0.364   0.517  0.00  0.00    +0.071 A 
ATOM     26  N   LIG    1        7.155  -0.467   0.514  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1        7.761  -0.811  -0.643  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        7.085  -1.063  -1.821  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        5.700  -0.955  -1.811  0.00  0.00    +0.011 A 
ATOM     30  C   LIG    1        5.155  -0.015   1.685  0.00  0.00    +0.033 A 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3