REMARK  Name = BDB012226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.838  -1.601  -0.987  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.218  -0.749  -0.192  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1       -0.362   0.012   0.579  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1       -0.746   0.818   1.056  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.081  -0.052   0.398  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        1.795   0.370   1.686  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1        3.313   0.345   1.523  0.00  0.00    +0.027 C 
ATOM      8  C   LIG    1        3.763   1.195   0.326  0.00  0.00    +0.092 C 
ATOM      9  C   LIG    1        3.035   0.805  -0.969  0.00  0.00    +0.027 C 
ATOM     10  C   LIG    1        1.519   0.821  -0.786  0.00  0.00    +0.024 C 
BRANCH   8  11
ATOM     11  N   LIG    1        5.203   1.234   0.175  0.00  0.00    -0.289 N 
ATOM     12  C   LIG    1        6.076   0.172  -0.125  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        7.373   0.693  -0.162  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        8.484  -0.074  -0.429  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        8.259  -1.430  -0.669  0.00  0.00    +0.043 A 
ATOM     16  C   LIG    1        6.959  -1.974  -0.636  0.00  0.00    +0.022 A 
ATOM     17 CL   LIG    1        9.595  -2.461  -1.012  0.00  0.00    -0.083 Cl
ATOM     18  N   LIG    1        7.308   2.053   0.112  0.00  0.00    -0.306 N 
ATOM     19  H   LIG    1        8.072   2.706   0.159  0.00  0.00    +0.170 HD
ATOM     20  C   LIG    1        5.847  -1.167  -0.360  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        5.971   2.414   0.326  0.00  0.00    +0.328 A 
ATOM     22  O   LIG    1        5.577   3.537   0.593  0.00  0.00    -0.247 OA
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  23
ATOM     23  C   LIG    1       -2.676  -0.449   0.077  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.591  -1.192  -0.888  0.00  0.00    +0.083 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.025  -0.995  -0.473  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1       -5.550  -1.957   0.347  0.00  0.00    -0.310 N 
ATOM     27  H   LIG    1       -5.011  -2.768   0.614  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1       -6.834  -1.915   0.828  0.00  0.00    +0.259 A 
ATOM     29  O   LIG    1       -7.286  -2.792   1.554  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1       -7.629  -0.746   0.416  0.00  0.00    +0.065 A 
ATOM     31  C   LIG    1       -7.008   0.193  -0.413  0.00  0.00    +0.078 A 
ATOM     32  C   LIG    1       -7.740   1.310  -0.819  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1       -9.064   1.483  -0.403  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1       -9.669   0.537   0.426  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -8.952  -0.584   0.840  0.00  0.00    +0.015 A 
ATOM     36  N   LIG    1       -5.680   0.054  -0.851  0.00  0.00    -0.234 NA
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 5