REMARK  Name = BDB001830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.808  -0.199  -0.084  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1       -1.250  -0.764   1.113  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.401  -0.276   1.735  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -3.120   0.785   1.167  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -2.668   1.348  -0.033  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.518   0.858  -0.656  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.365  -1.118  -1.248  0.00  0.00    -0.091 C 
ATOM      8  C   LIG    1        0.370  -0.700  -0.721  0.00  0.00    -0.066 C 
BRANCH   7   9
ATOM      9  C   LIG    1        2.585  -1.622  -1.893  0.00  0.00    +0.148 C 
BRANCH   9  12
ATOM     10  C   LIG    1        3.650   1.570  -1.766  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        4.205   0.303  -1.261  0.00  0.00    +0.127 A 
ATOM     12  C   LIG    1        3.798  -1.015  -1.284  0.00  0.00    +0.094 A 
ATOM     13  N   LIG    1        4.737  -1.791  -0.634  0.00  0.00    -0.213 NA
ATOM     14  C   LIG    1        5.654  -0.931  -0.233  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        5.392   0.366  -0.588  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        6.883  -1.176   0.517  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        7.197  -2.481   0.925  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        8.365  -2.746   1.645  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        9.236  -1.707   1.966  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        8.941  -0.405   1.568  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.772  -0.141   0.848  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   7   9
ENDBRANCH   1   8
BRANCH   4  22
ATOM     22  C   LIG    1       -4.384   1.290   1.829  0.00  0.00    +0.054 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.629   0.457   1.458  0.00  0.00    +0.133 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -6.047   0.667   0.014  0.00  0.00    -0.015 A 
ATOM     25  C   LIG    1       -5.795  -0.311  -0.945  0.00  0.00    +0.115 A 
ATOM     26  N   LIG    1       -6.161  -0.210  -2.241  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1       -6.779   0.930  -2.616  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -7.056   1.973  -1.749  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -6.684   1.838  -0.415  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
BRANCH  23  30
ATOM     30  C   LIG    1       -6.769   0.747   2.431  0.00  0.00    +0.313 C 
ATOM     31  O   LIG    1       -6.690   1.491   3.398  0.00  0.00    -0.250 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -7.912   0.071   2.156  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -7.879  -0.464   1.338  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  23  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9