REMARK  Name = BDB049362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.836  -0.155  -1.170  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        3.107   1.039  -1.065  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.742   0.974  -0.750  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.839   1.993  -0.590  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.311   1.418  -0.300  0.00  0.00    +0.111 A 
ATOM      6  N   LIG    1       -0.175   0.046  -0.269  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1        1.137  -0.262  -0.554  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        1.839  -1.469  -0.655  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        3.202  -1.389  -0.968  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.422  -1.506  -3.706  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        5.960  -0.704  -2.579  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        5.248  -0.118  -1.496  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        6.215   0.522  -0.743  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1        6.154   1.306   0.513  0.00  0.00    +0.065 C 
ATOM     15  N   LIG    1        7.395   0.299  -1.398  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1        8.322   0.621  -1.141  0.00  0.00    +0.189 HD
ATOM     17  N   LIG    1        7.272  -0.450  -2.504  0.00  0.00    -0.178 NA
ENDBRANCH   1  12
BRANCH   6  18
ATOM     18  C   LIG    1       -1.218  -0.925   0.014  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.273  -1.280   1.506  0.00  0.00    +0.106 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.371  -2.209   1.820  0.00  0.00    -0.296 NA
ATOM     21  C   LIG    1       -2.098  -3.603   1.398  0.00  0.00    +0.112 C 
ATOM     22  C   LIG    1       -1.703  -4.536   2.554  0.00  0.00    +0.175 C 
ATOM     23  O   LIG    1       -2.700  -4.614   3.581  0.00  0.00    -0.377 OA
ATOM     24  C   LIG    1       -3.466  -3.410   3.716  0.00  0.00    +0.175 C 
ATOM     25  C   LIG    1       -2.694  -2.162   3.265  0.00  0.00    +0.112 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   6  18
BRANCH   5  26
ATOM     26  C   LIG    1       -1.587   2.152  -0.040  0.00  0.00    +0.079 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.352   2.406  -1.339  0.00  0.00    +0.043 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.673   3.088  -1.079  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1       -3.745   4.486  -1.006  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -4.962   5.117  -0.743  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.114   4.358  -0.547  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.051   2.967  -0.613  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.836   2.333  -0.876  0.00  0.00    +0.003 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 7