REMARK  Name = BDB012193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.155  -2.169  -2.569  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.660  -1.044  -2.469  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.420  -0.793  -1.633  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1       -0.866  -1.868  -0.750  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1       -1.636  -1.348   0.457  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.858  -0.535   0.015  0.00  0.00    +0.095 C 
ATOM      7  C   LIG    1       -2.565   0.353  -1.210  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -1.073   0.510  -1.482  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1       -3.414   0.217   1.129  0.00  0.00    -0.288 N 
ATOM     10  C   LIG    1       -4.504  -0.178   1.921  0.00  0.00    +0.089 A 
ATOM     11  C   LIG    1       -4.657   0.752   2.946  0.00  0.00    +0.159 A 
ATOM     12  N   LIG    1       -5.586   0.720   3.905  0.00  0.00    -0.236 NA
ATOM     13  C   LIG    1       -6.424  -0.342   3.816  0.00  0.00    +0.113 A 
ATOM     14  C   LIG    1       -6.351  -1.334   2.828  0.00  0.00    +0.022 A 
ATOM     15  N   LIG    1       -3.662   1.704   2.808  0.00  0.00    -0.291 N 
ATOM     16  H   LIG    1       -3.518   2.478   3.431  0.00  0.00    +0.172 HD
ATOM     17  C   LIG    1       -5.358  -1.254   1.846  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1       -2.863   1.383   1.708  0.00  0.00    +0.329 A 
ATOM     19  O   LIG    1       -1.883   2.005   1.337  0.00  0.00    -0.246 OA
ENDBRANCH   6   9
BRANCH   2  20
ATOM     20  C   LIG    1        1.253   0.147  -3.206  0.00  0.00    +0.096 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.525  -0.153  -4.008  0.00  0.00    +0.017 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.692  -0.817  -3.268  0.00  0.00    +0.075 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.850  -0.358  -1.839  0.00  0.00    +0.110 A 
ATOM     24  N   LIG    1        3.297  -1.177  -0.890  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        2.765  -1.995  -1.173  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1        3.276  -0.875   0.447  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1        2.697  -1.573   1.272  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1        3.983   0.362   0.823  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1        4.540   1.125  -0.209  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1        5.207   2.307   0.121  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        5.316   2.714   1.455  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        4.757   1.940   2.474  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        4.084   0.759   2.160  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1        4.449   0.753  -1.562  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 5