REMARK  Name = BDB034774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.442  -3.681   1.712  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -3.583  -2.551   1.505  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -2.299  -2.401   2.040  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.783  -1.183   1.595  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.517  -0.756   1.949  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.246  -1.579   2.793  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -0.307  -2.803   3.255  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -2.766  -0.568   0.806  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1       -1.583  -3.232   2.870  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -3.889  -1.422   0.720  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -4.913  -1.216   0.088  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        1.521  -1.197   3.264  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        1.948  -1.893   3.868  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.534  -0.457   2.599  0.00  0.00    +0.147 A 
ATOM     15  C   LIG    1        3.631  -0.019   3.328  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1        3.845  -0.341   5.003  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1        4.575   0.689   2.629  0.00  0.00    +0.137 A 
ATOM     18  N   LIG    1        4.483   0.948   1.311  0.00  0.00    -0.221 NA
ATOM     19  C   LIG    1        3.399   0.493   0.663  0.00  0.00    +0.220 A 
ATOM     20  N   LIG    1        2.418  -0.186   1.280  0.00  0.00    -0.198 NA
BRANCH  19  21
ATOM     21  N   LIG    1        3.334   0.677  -0.700  0.00  0.00    -0.294 N 
ATOM     22  C   LIG    1        2.087   0.376  -1.425  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1        2.280   1.137  -2.746  0.00  0.00    +0.026 C 
ATOM     24  C   LIG    1        3.031   2.381  -2.307  0.00  0.00    +0.021 C 
ATOM     25  C   LIG    1        4.008   1.847  -1.261  0.00  0.00    +0.108 C 
BRANCH  22  26
ATOM     26  C   LIG    1        1.912  -1.132  -1.660  0.00  0.00    +0.178 C 
BRANCH  26  27
ATOM     27  O   LIG    1        3.108  -1.703  -2.196  0.00  0.00    -0.393 OA
ATOM     28  H   LIG    1        3.827  -1.286  -1.679  0.00  0.00    +0.209 HD
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  19  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  29
ATOM     29  C   LIG    1       -2.651   0.697   0.126  0.00  0.00    +0.130 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.080   0.525  -1.280  0.00  0.00    +0.056 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -2.067   1.802  -2.138  0.00  0.00    +0.062 C 
ATOM     32  C   LIG    1       -1.301   2.949  -1.476  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1       -3.476   2.262  -2.519  0.00  0.00    +0.041 C 
BRANCH  31  34
ATOM     34  O   LIG    1       -1.367   1.489  -3.350  0.00  0.00    -0.389 OA
ATOM     35  H   LIG    1       -1.887   0.822  -3.832  0.00  0.00    +0.210 HD
ENDBRANCH  31  34
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   8  29
TORSDOF 9