REMARK  Name = BDB050441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.477  -0.501  -0.438  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        0.176  -0.230   0.028  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -0.829  -1.210   0.017  0.00  0.00    +0.079 A 
ATOM      4  N   LIG    1       -2.163  -0.943   0.440  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1       -3.126  -1.946   0.350  0.00  0.00    +0.263 C 
ATOM      6  C   LIG    1       -2.558  -3.376   0.238  0.00  0.00    +0.181 C 
ATOM      7  O   LIG    1       -1.393  -3.516  -0.570  0.00  0.00    -0.475 OA
ATOM      8  C   LIG    1       -2.240  -3.889   1.652  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.617  -4.290  -0.392  0.00  0.00    +0.065 C 
ATOM     10  O   LIG    1       -4.333  -1.720   0.436  0.00  0.00    -0.271 OA
ATOM     11  C   LIG    1       -0.505  -2.480  -0.478  0.00  0.00    +0.143 A 
ATOM     12  C   LIG    1        0.776  -2.760  -0.957  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        1.764  -1.778  -0.934  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        3.312   0.792   0.705  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1        2.507   0.549  -0.425  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        2.717   1.371  -1.554  0.00  0.00    -0.038 A 
ATOM     17  C   LIG    1        1.909   1.214  -2.815  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        3.703   2.363  -1.500  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        4.451   2.517  -0.347  0.00  0.00    +0.117 A 
ATOM     20  N   LIG    1        4.269   1.760   0.741  0.00  0.00    -0.237 NA
BRANCH  19  21
ATOM     21  N   LIG    1        5.424   3.509  -0.259  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1        6.100   3.434  -1.010  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1        5.862   3.404   0.653  0.00  0.00    +0.144 HD
ENDBRANCH  19  21
BRANCH  14  25
ATOM     24  C   LIG    1        4.180  -1.191   1.976  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        3.205  -0.023   1.973  0.00  0.00    +0.053 C 
ENDBRANCH  14  25
ENDBRANCH   1  15
BRANCH   4  26
ATOM     26  C   LIG    1       -2.611   0.414   0.762  0.00  0.00    +0.132 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.036   1.203  -0.486  0.00  0.00    +0.123 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -2.907   2.646  -0.350  0.00  0.00    -0.314 N 
ATOM     29  H   LIG    1       -2.588   3.159  -1.162  0.00  0.00    +0.149 HD
ATOM     30  C   LIG    1       -3.597   3.346   0.613  0.00  0.00    +0.210 C 
ATOM     31  O   LIG    1       -4.260   2.815   1.496  0.00  0.00    -0.276 OA
ATOM     32  C   LIG    1       -3.473   4.842   0.497  0.00  0.00    +0.109 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 6