REMARK  Name = BDB062349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.695  -0.078  -0.369  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.538  -0.003   0.168  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.538  -0.066  -0.712  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.913  -0.013  -0.445  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -3.619  -0.110  -1.664  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.644  -0.231  -2.675  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -2.892  -0.353  -4.082  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.829  -0.091  -1.821  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.388  -0.200  -2.072  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.119  -0.272  -2.542  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        0.934  -0.212  -1.698  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.479   0.137   0.884  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1       -4.371  -1.050   1.261  0.00  0.00    +0.040 C 
ATOM     14  C   LIG    1       -4.898  -0.899   2.690  0.00  0.00    +0.083 C 
ATOM     15  N   LIG    1       -5.159   0.486   3.091  0.00  0.00    -0.316 NA
ATOM     16  H   LIG    1       -5.929   0.507   3.760  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -5.456   1.345   1.953  0.00  0.00    +0.083 C 
ATOM     18  C   LIG    1       -4.236   1.468   1.040  0.00  0.00    +0.040 C 
ENDBRANCH   4  12
BRANCH   1  19
ATOM     19  N   LIG    1        1.729  -0.014   0.561  0.00  0.00    -0.283 N 
ATOM     20  H   LIG    1        1.318   0.093   1.477  0.00  0.00    +0.155 HD
BRANCH  19  23
ATOM     21  C   LIG    1        3.263   0.060   3.032  0.00  0.00    +0.046 C 
ATOM     22  C   LIG    1        3.899   0.021   1.667  0.00  0.00    -0.027 A 
ATOM     23  C   LIG    1        3.129  -0.008   0.485  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        3.820  -0.054  -0.733  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        5.228  -0.060  -0.795  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.988  -0.024   0.386  0.00  0.00    +0.071 A 
ATOM     27  N   LIG    1        7.334  -0.027   0.380  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1        7.962  -0.067  -0.815  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        7.304  -0.106  -2.030  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        5.915  -0.102  -2.016  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1        5.308   0.016   1.592  0.00  0.00    +0.033 A 
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 3