REMARK  Name = BDB051046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.041   2.148   0.046  0.00  0.00    +0.080 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        0.522   3.210   0.931  0.00  0.00    -0.325 NA
ATOM      3  H   LIG    1       -0.245   2.857   1.499  0.00  0.00    +0.119 HD
ATOM      4  H   LIG    1        0.128   3.942   0.333  0.00  0.00    +0.119 HD
ENDBRANCH   1   2
BRANCH   1   5
ATOM      5  C   LIG    1        1.833   2.789  -1.124  0.00  0.00    +0.132 C 
BRANCH   5   6
ATOM      6  O   LIG    1        0.948   3.647  -1.878  0.00  0.00    -0.390 OA
ATOM      7  H   LIG    1        0.390   3.065  -2.422  0.00  0.00    +0.210 HD
ENDBRANCH   5   6
BRANCH   5   8
ATOM      8  C   LIG    1        3.049   3.654  -0.737  0.00  0.00    +0.045 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.129   3.099   0.215  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1        3.755   3.258   1.692  0.00  0.00    +0.017 C 
BRANCH   9  13
ATOM     11  N   LIG    1        5.654   1.240   0.646  0.00  0.00    -0.315 N 
ATOM     12  H   LIG    1        6.037   1.842   1.363  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        4.572   1.668  -0.095  0.00  0.00    +0.216 C 
ATOM     14  O   LIG    1        4.031   0.952  -0.932  0.00  0.00    -0.276 OA
BRANCH  11  15
ATOM     15  C   LIG    1        6.149  -0.119   0.555  0.00  0.00    +0.104 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.322  -1.069   1.419  0.00  0.00    +0.018 C 
BRANCH  16  18
ATOM     17  C   LIG    1        5.737  -3.196   0.079  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        5.857  -2.501   1.427  0.00  0.00    -0.002 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  C   LIG    1       -0.159   1.278  -0.411  0.00  0.00    +0.024 C 
BRANCH  19  20
ATOM     20  C   LIG    1        0.186   0.082  -1.331  0.00  0.00    -0.009 C 
ATOM     21  C   LIG    1       -1.084  -0.541  -1.942  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1       -1.938  -1.391  -0.977  0.00  0.00    -0.011 C 
ATOM     23  C   LIG    1       -1.100  -2.012   0.152  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1        0.328  -2.281  -0.300  0.00  0.00    +0.001 C 
ATOM     25  C   LIG    1        1.061  -0.983  -0.637  0.00  0.00    +0.003 C 
BRANCH  22  26
ATOM     26  C   LIG    1       -3.158  -0.608  -0.449  0.00  0.00    +0.003 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.115  -1.474   0.382  0.00  0.00    +0.001 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.383  -0.717   0.810  0.00  0.00    +0.006 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -6.655  -0.930  -0.056  0.00  0.00    -0.038 C 
ATOM     30  C   LIG    1       -7.765  -0.007   0.489  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -6.416  -0.580  -1.532  0.00  0.00    +0.010 C 
ATOM     32  C   LIG    1       -7.149  -2.385   0.044  0.00  0.00    +0.010 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 15