REMARK  Name = BDB013855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.653  -1.700   0.382  0.00  0.00    -0.338 N 
ATOM      2  H   LIG    1        1.903  -1.614   1.374  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.178  -0.618  -0.352  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1        3.062   0.325   0.211  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1        3.586   1.361  -0.576  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        3.232   1.422  -1.909  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.417   0.532  -2.502  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        1.927  -0.461  -1.718  0.00  0.00    +0.134 A 
BRANCH   4   9
ATOM      9  C   LIG    1        3.422   0.249   1.653  0.00  0.00    +0.339 C 
ATOM     10  O   LIG    1        2.981  -0.545   2.466  0.00  0.00    -0.245 OA
BRANCH   9  11
ATOM     11  O   LIG    1        4.330   1.173   2.021  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1        4.469   0.999   2.975  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   4   9
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  C   LIG    1        0.220  -1.993   0.236  0.00  0.00    +0.137 C 
BRANCH  13  17
ATOM     14  C   LIG    1       -3.069   1.942  -0.047  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -2.187   0.978   0.707  0.00  0.00    -0.047 A 
ATOM     16  C   LIG    1       -1.535  -0.107   0.056  0.00  0.00    -0.037 A 
ATOM     17  C   LIG    1       -0.649  -0.900   0.838  0.00  0.00    -0.027 A 
ATOM     18  C   LIG    1       -0.532  -0.672   2.226  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -1.234   0.350   2.849  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -2.049   1.177   2.092  0.00  0.00    +0.003 A 
BRANCH  16  21
ATOM     21  C   LIG    1       -1.751  -0.365  -1.431  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1       -2.229  -1.717  -1.925  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -3.152  -0.548  -1.984  0.00  0.00    +0.009 C 
ENDBRANCH  16  21
ENDBRANCH  13  17
ENDBRANCH   1  13
TORSDOF 6