REMARK  Name = BDB049622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.192  -0.237  -0.410  0.00  0.00    +0.196 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -5.538   0.617   1.929  0.00  0.00    +0.086 A 
ATOM      3  C   LIG    1       -4.207   0.682   1.509  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1       -3.333   1.618   2.046  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -2.079   1.436   1.422  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -2.196   0.395   0.512  0.00  0.00    +0.052 A 
ATOM      7  N   LIG    1       -3.699   2.510   2.997  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1       -4.989   2.434   3.386  0.00  0.00    +0.112 A 
ATOM      9  N   LIG    1       -3.499  -0.048   0.583  0.00  0.00    -0.354 N 
ATOM     10  H   LIG    1       -3.907  -0.790   0.024  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -5.928   1.536   2.903  0.00  0.00    +0.037 A 
BRANCH   2  13
ATOM     12  O   LIG    1       -6.135  -1.223   0.517  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -6.447  -0.388   1.347  0.00  0.00    +0.339 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -7.696  -0.302   1.834  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -8.188  -1.010   1.367  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   2  13
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.718  -0.501  -1.812  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -2.096   0.509  -2.714  0.00  0.00    +0.047 A 
ATOM     18 CL   LIG    1       -2.015   2.193  -2.333  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -2.581   0.180  -3.987  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -2.698  -1.152  -4.379  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -2.331  -2.164  -3.500  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -1.846  -1.843  -2.230  0.00  0.00    +0.008 A 
ENDBRANCH   1  16
BRANCH   1  23
ATOM     23  O   LIG    1       -0.054   0.623  -0.481  0.00  0.00    -0.366 OA
BRANCH  23  24
ATOM     24  C   LIG    1        1.119   0.107   0.149  0.00  0.00    +0.162 C 
BRANCH  24  25
ATOM     25  C   LIG    1        1.832  -0.886  -0.765  0.00  0.00    +0.043 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.079  -1.506  -0.123  0.00  0.00    +0.086 C 
BRANCH  26  27
ATOM     27  N   LIG    1        4.072  -0.533   0.359  0.00  0.00    -0.302 NA
ATOM     28  C   LIG    1        4.696   0.214  -0.746  0.00  0.00    +0.084 C 
ATOM     29  C   LIG    1        5.699   1.247  -0.227  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1        6.762   0.600   0.651  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1        6.108  -0.230   1.747  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1        5.098  -1.219   1.166  0.00  0.00    +0.084 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 9