REMARK  Name = BDB065354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.410  -0.763   1.061  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1        2.760  -1.097  -0.254  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        4.086  -1.395  -0.587  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        5.093  -1.364   0.386  0.00  0.00    -0.028 A 
ATOM      5  C   LIG    1        4.747  -1.032   1.701  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        3.421  -0.736   2.033  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -1.084  -0.082   1.469  0.00  0.00    -0.251 N 
ATOM      8  N   LIG    1       -0.642   0.119   2.721  0.00  0.00    -0.065 NA
ATOM      9  N   LIG    1        0.665  -0.105   2.717  0.00  0.00    -0.130 NA
ATOM     10  C   LIG    1        1.043  -0.448   1.440  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1       -0.071  -0.436   0.629  0.00  0.00    +0.138 A 
BRANCH   7  12
ATOM     12  C   LIG    1       -2.487   0.082   1.150  0.00  0.00    +0.145 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.307  -1.148   1.540  0.00  0.00    +0.023 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.802  -0.982   1.256  0.00  0.00    +0.002 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -5.136  -1.022  -0.240  0.00  0.00    +0.011 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -6.631  -0.829  -0.505  0.00  0.00    +0.120 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -7.078   0.601  -0.300  0.00  0.00    +0.307 C 
ATOM     18  O   LIG    1       -6.332   1.556  -0.137  0.00  0.00    -0.251 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -8.438   0.661  -0.351  0.00  0.00    -0.465 OA
BRANCH  19  21
ATOM     20  C   LIG    1       -9.088   2.686  -1.510  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1       -9.014   1.965  -0.177  0.00  0.00    +0.229 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  C   LIG    1        6.527  -1.673   0.016  0.00  0.00    +0.161 C 
BRANCH  22  23
ATOM     23  N   LIG    1        7.144  -0.610  -0.774  0.00  0.00    -0.295 N 
ATOM     24  C   LIG    1        7.255  -0.774  -2.158  0.00  0.00    +0.350 A 
ATOM     25  O   LIG    1        6.859  -1.797  -2.714  0.00  0.00    -0.244 OA
ATOM     26  N   LIG    1        7.827   0.240  -2.891  0.00  0.00    -0.178 NA
ATOM     27  C   LIG    1        8.221   1.323  -2.299  0.00  0.00    +0.123 A 
ATOM     28  C   LIG    1        8.099   1.545  -0.846  0.00  0.00    +0.061 A 
ATOM     29  C   LIG    1        7.557   0.547  -0.151  0.00  0.00    +0.094 A 
BRANCH  27  30
ATOM     30  N   LIG    1        8.782   2.290  -3.087  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1        9.532   2.834  -2.678  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        9.008   1.936  -4.012  0.00  0.00    +0.144 HD
ENDBRANCH  27  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 12