REMARK  Name = BDB056732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.189   0.161   0.865  0.00  0.00    +0.222 A 
ATOM      2  N   LIG    1       -1.441  -0.922   0.538  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -0.311  -0.584  -0.113  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        0.130   0.689  -0.445  0.00  0.00    +0.109 A 
ATOM      5  N   LIG    1        1.327   0.631  -1.108  0.00  0.00    -0.227 NA
ATOM      6  C   LIG    1        1.647  -0.653  -1.166  0.00  0.00    +0.149 A 
ATOM      7  C   LIG    1       -0.665   1.777  -0.073  0.00  0.00    +0.037 A 
ATOM      8  N   LIG    1        0.656  -1.425  -0.590  0.00  0.00    -0.313 N 
ATOM      9  C   LIG    1        0.625  -2.862  -0.496  0.00  0.00    +0.152 C 
ATOM     10  C   LIG    1       -1.852   1.492   0.609  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.344  -0.119   1.573  0.00  0.00    -0.438 OA
BRANCH  11  16
ATOM     12  C   LIG    1       -8.344   1.211  -0.765  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -7.025   0.830  -0.161  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -6.013   0.279  -0.958  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -4.774  -0.049  -0.404  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -4.530   0.196   0.949  0.00  0.00    +0.130 A 
ATOM     17  C   LIG    1       -5.535   0.735   1.752  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -6.773   1.063   1.197  0.00  0.00    +0.007 A 
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   6  19
ATOM     19  C   LIG    1        2.883  -1.236  -1.780  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.961  -0.299  -1.695  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.663  -0.191  -0.527  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        5.677   0.771  -0.558  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1        6.486   0.982   0.564  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        6.261   0.253   1.734  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        5.245  -0.701   1.769  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.451  -0.926   0.640  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        7.571   1.991   0.562  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        7.856   2.662   1.538  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        8.246   2.050  -0.605  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        8.014   1.355  -1.248  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 7