REMARK  Name = BDB035044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.815  -0.194   1.367  0.00  0.00    +0.249 C 
ATOM      2  N   LIG    1       -1.618  -0.248   0.234  0.00  0.00    -0.282 N 
ATOM      3  O   LIG    1       -1.195  -0.470   2.501  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      4  C   LIG    1        6.850   1.146   0.138  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        5.418   0.707   0.211  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        4.932  -0.377  -0.520  0.00  0.00    +0.120 A 
ATOM      7  N   LIG    1        3.651  -0.773  -0.452  0.00  0.00    -0.231 NA
ATOM      8  C   LIG    1        2.808  -0.100   0.353  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1        3.192   1.010   1.132  0.00  0.00    +0.090 A 
ATOM     10  N   LIG    1        2.349   1.690   1.940  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1        1.067   1.261   1.996  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1        0.591   0.208   1.239  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1        1.484  -0.495   0.432  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        4.518   1.393   1.038  0.00  0.00    +0.036 A 
BRANCH   6  15
ATOM     15  N   LIG    1        5.764  -1.115  -1.366  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        6.522  -1.526  -0.831  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        6.164  -0.509  -2.075  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -2.936  -0.931   0.327  0.00  0.00    +0.141 C 
ATOM     19  C   LIG    1       -3.909  -0.188   1.250  0.00  0.00    +0.036 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -2.802  -2.426   0.647  0.00  0.00    +0.149 A 
ATOM     21  N   LIG    1       -1.721  -3.076   0.149  0.00  0.00    -0.238 NA
ATOM     22  C   LIG    1       -1.633  -4.393   0.410  0.00  0.00    +0.114 A 
ATOM     23  C   LIG    1       -2.582  -5.091   1.117  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -3.658  -4.356   1.550  0.00  0.00    +0.114 A 
ATOM     25  N   LIG    1       -3.801  -3.038   1.319  0.00  0.00    -0.238 NA
ENDBRANCH  18  20
ENDBRANCH   2  18
BRANCH   2  26
ATOM     26  C   LIG    1       -1.290   0.352  -1.066  0.00  0.00    +0.164 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.115   1.593  -1.348  0.00  0.00    +0.059 A 
ATOM     28  N   LIG    1       -3.209   1.448  -2.139  0.00  0.00    -0.257 NA
ATOM     29  C   LIG    1       -3.966   2.549  -2.363  0.00  0.00    +0.126 A 
ATOM     30  C   LIG    1       -3.686   3.796  -1.829  0.00  0.00    +0.036 A 
ATOM     31 BR   LIG    1       -4.796   5.275  -2.192  0.00  0.00    -0.049 Br
ATOM     32  C   LIG    1       -2.568   3.931  -1.018  0.00  0.00    +0.018 A 
ATOM     33  C   LIG    1       -1.770   2.815  -0.770  0.00  0.00    +0.026 A 
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 6