REMARK  Name = BDB032078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.788   3.847  -2.724  0.00  0.00    +0.153 C 
ATOM      2  N   LIG    1       -0.802   2.476  -2.263  0.00  0.00    -0.302 N 
ATOM      3  C   LIG    1        0.416   1.914  -1.858  0.00  0.00    +0.263 A 
ATOM      4  O   LIG    1        1.483   2.521  -1.892  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1        0.286   0.542  -1.410  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1        1.195  -0.426  -0.895  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        0.446  -1.564  -0.634  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1       -0.862  -1.311  -0.967  0.00  0.00    -0.322 N 
ATOM      9  C   LIG    1       -0.968  -0.030  -1.434  0.00  0.00    +0.149 A 
ATOM     10  N   LIG    1       -2.135   0.534  -1.826  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1       -1.992   1.763  -2.227  0.00  0.00    +0.204 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        2.627  -0.362  -0.654  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        3.167  -0.826   0.554  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        4.551  -0.774   0.801  0.00  0.00    +0.078 A 
ATOM     15  C   LIG    1        5.394  -0.244  -0.188  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1        4.865   0.217  -1.395  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        3.488   0.155  -1.625  0.00  0.00    +0.012 A 
BRANCH  14  18
ATOM     18  C   LIG    1        5.018  -1.297   2.121  0.00  0.00    +0.245 C 
ATOM     19  O   LIG    1        4.239  -1.770   2.942  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        6.351  -1.236   2.396  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        7.004  -0.858   1.718  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        6.685  -1.592   3.279  0.00  0.00    +0.145 HD
ENDBRANCH  14  18
BRANCH  15  23
ATOM     23  O   LIG    1        6.751  -0.165   0.002  0.00  0.00    -0.506 OA
ATOM     24  H   LIG    1        7.150   0.255  -0.779  0.00  0.00    +0.292 HD
ENDBRANCH  15  23
ENDBRANCH   6  12
BRANCH   8  25
ATOM     25  C   LIG    1       -1.955  -2.262  -0.878  0.00  0.00    +0.219 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.742  -2.114   0.409  0.00  0.00    +0.237 C 
ATOM     27  N   LIG    1       -3.473  -0.940   0.491  0.00  0.00    -0.283 N 
ATOM     28  H   LIG    1       -3.351  -0.272  -0.274  0.00  0.00    +0.155 HD
ATOM     29  O   LIG    1       -2.729  -3.011   1.250  0.00  0.00    -0.274 OA
BRANCH  27  30
ATOM     30  C   LIG    1       -4.321  -0.517   1.547  0.00  0.00    +0.055 A 
ATOM     31  C   LIG    1       -4.967   0.723   1.446  0.00  0.00    +0.080 A 
ATOM     32 CL   LIG    1       -4.776   1.755   0.077  0.00  0.00    -0.080 Cl
ATOM     33  C   LIG    1       -5.798   1.131   2.482  0.00  0.00    +0.132 A 
ATOM     34  N   LIG    1       -6.028   0.403   3.597  0.00  0.00    -0.262 NA
ATOM     35  C   LIG    1       -5.396  -0.786   3.675  0.00  0.00    +0.112 A 
ATOM     36  C   LIG    1       -4.549  -1.281   2.692  0.00  0.00    +0.044 A 
ENDBRANCH  27  30
ENDBRANCH  25  26
ENDBRANCH   8  25
TORSDOF 6