REMARK  Name = BDB008663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.813  -0.361  -0.059  0.00  0.00    +0.045 A 
ATOM      2  N   LIG    1        1.837  -1.046   1.063  0.00  0.00    -0.218 NA
ATOM      3  C   LIG    1        0.796  -1.772   1.503  0.00  0.00    +0.215 A 
ATOM      4  C   LIG    1       -0.379  -1.806   0.737  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.486  -1.113  -0.461  0.00  0.00    -0.021 A 
ATOM      6  C   LIG    1        0.637  -0.404  -0.818  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   3   7
ATOM      7  O   LIG    1        0.863  -2.482   2.686  0.00  0.00    -0.480 OA
ATOM      8  C   LIG    1        1.989  -2.499   3.510  0.00  0.00    +0.279 C 
ENDBRANCH   3   7
BRANCH   5   9
ATOM      9  C   LIG    1       -1.686  -1.202  -1.298  0.00  0.00    +0.104 C 
ATOM     10  C   LIG    1       -1.442  -0.789  -2.743  0.00  0.00    +0.033 C 
BRANCH   9  11
ATOM     11  N   LIG    1       -2.869  -0.470  -0.834  0.00  0.00    -0.289 N 
ATOM     12  C   LIG    1       -2.812   0.912  -0.597  0.00  0.00    +0.246 C 
ATOM     13  O   LIG    1       -1.674   1.483  -0.856  0.00  0.00    -0.273 OA
BRANCH  12  14
ATOM     14  C   LIG    1       -3.808   1.833  -0.107  0.00  0.00    +0.217 C 
ATOM     15  O   LIG    1       -4.997   1.339   0.256  0.00  0.00    -0.365 OA
ATOM     16  C   LIG    1       -5.967   2.170   0.709  0.00  0.00    +0.176 C 
ATOM     17  C   LIG    1       -5.977   3.569   0.205  0.00  0.00    +0.109 C 
ATOM     18  N   LIG    1       -4.750   3.987  -0.422  0.00  0.00    -0.311 NA
ATOM     19  H   LIG    1       -4.062   4.252   0.352  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -4.114   2.931  -1.164  0.00  0.00    +0.122 C 
ENDBRANCH  12  14
BRANCH  11  21
ATOM     21  C   LIG    1       -4.104  -1.262  -0.754  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1       -4.099  -2.654  -0.248  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -4.360  -2.379  -1.696  0.00  0.00    +0.024 C 
ENDBRANCH  11  21
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  24
ATOM     24  C   LIG    1        2.879   0.499  -0.618  0.00  0.00    +0.057 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.171   0.540   0.058  0.00  0.00    +0.025 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.918  -0.810   0.132  0.00  0.00    +0.108 C 
BRANCH  26  28
ATOM     27  C   LIG    1        7.380  -0.354   1.254  0.00  0.00    +0.400 C 
ATOM     28  N   LIG    1        6.178  -0.577   0.706  0.00  0.00    -0.281 N 
ATOM     29  H   LIG    1        6.498  -1.908   0.574  0.00  0.00    +0.152 HD
ATOM     30  O   LIG    1        8.353  -1.164   1.479  0.00  0.00    -0.226 OA
BRANCH  27  32
ATOM     31  C   LIG    1        8.966   1.279   2.274  0.00  0.00    +0.282 C 
ATOM     32  O   LIG    1        7.748   0.967   1.700  0.00  0.00    -0.454 OA
ENDBRANCH  27  32
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 10