REMARK  Name = BDB021760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.296  -1.751  -1.206  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.428  -0.941  -1.100  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.215   0.338  -0.671  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1       -1.299   0.598  -0.332  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -3.543  -1.376  -1.386  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.148   1.396  -0.512  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1       -2.640   2.573   0.062  0.00  0.00    +0.092 A 
ATOM      8  C   LIG    1       -3.514   3.667   0.244  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -3.002   4.838   0.820  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -1.666   4.898   1.196  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.883   3.781   0.983  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1       -4.859   3.573  -0.145  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -5.342   2.400  -0.716  0.00  0.00    +0.003 A 
ATOM     14  N   LIG    1       -1.338   2.636   0.429  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1       -4.489   1.314  -0.901  0.00  0.00    +0.025 A 
ENDBRANCH   3   6
BRANCH   1  19
ATOM     16  N   LIG    1        2.406   0.158  -0.039  0.00  0.00    -0.300 NA
ATOM     17  C   LIG    1        1.891  -0.927   0.811  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1        0.394  -1.155   0.589  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        0.114  -1.408  -0.895  0.00  0.00    +0.080 C 
ATOM     20  C   LIG    1        0.705  -0.306  -1.780  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1        2.192  -0.119  -1.465  0.00  0.00    +0.086 C 
BRANCH  16  22
ATOM     22  C   LIG    1        3.798   0.520   0.311  0.00  0.00    +0.054 C 
ATOM     23  C   LIG    1        4.859  -0.497  -0.139  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     24  C   LIG    1        4.185   1.926  -0.211  0.00  0.00    +0.018 C 
BRANCH  24  26
ATOM     25  C   LIG    1        3.174   3.266   1.713  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        3.245   3.063   0.207  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
BRANCH   1  27
ATOM     27  C   LIG    1       -1.529  -3.137  -1.632  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.409  -4.123  -0.491  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -2.357  -4.128   0.543  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -2.246  -5.027   1.603  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.188  -5.934   1.641  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.242  -5.943   0.618  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.351  -5.043  -0.444  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 7