REMARK  Name = BDB027637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.887  -1.137  -0.168  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.238  -2.487  -0.331  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.608  -2.754  -0.315  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.969  -4.085  -0.463  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        2.119  -5.134  -0.626  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.809  -4.839  -0.650  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        3.539  -1.800  -0.170  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        3.106  -0.535  -0.050  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.323  -3.552  -0.509  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        1.814  -0.171  -0.051  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        4.117   0.528   0.096  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        5.491   0.245   0.083  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        6.404   1.279   0.225  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        6.054   2.571   0.378  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.734   2.840   0.390  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.749   1.873   0.255  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.469  -0.768  -0.191  0.00  0.00    -0.327 N 
ATOM     18  H   LIG    1       -1.018  -1.377   0.415  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -0.769   0.651   0.012  0.00  0.00    +0.125 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.314   0.963   0.226  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1       -2.774   0.227   1.530  0.00  0.00    +0.052 C 
ATOM     22  C   LIG    1       -3.623  -1.007   1.250  0.00  0.00    +0.161 C 
ATOM     23  O   LIG    1       -3.059  -1.745   0.174  0.00  0.00    -0.380 OA
ATOM     24  C   LIG    1       -3.227  -1.080  -1.082  0.00  0.00    +0.161 C 
ATOM     25  C   LIG    1       -3.132   0.446  -0.989  0.00  0.00    +0.052 C 
BRANCH  20  27
ATOM     26  C   LIG    1       -3.907   2.890   0.503  0.00  0.00    +0.105 C 
ATOM     27  N   LIG    1       -2.508   2.444   0.459  0.00  0.00    -0.301 NA
ATOM     28  C   LIG    1       -1.771   3.321  -0.457  0.00  0.00    +0.105 C 
ENDBRANCH  20  27
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5