REMARK  Name = BDB023995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.163   5.139  -0.481  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.089   4.158  -0.087  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.465   2.831   0.085  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.400   1.919   0.554  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.813   0.496   0.388  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -1.107  -0.715   0.617  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.899  -1.776   0.386  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -3.074  -1.261  -0.027  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1       -3.076   0.101  -0.000  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.179   1.032  -0.335  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.867   2.408   0.288  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -0.928   4.542   0.060  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.268  -0.908   1.069  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        1.329  -0.224   0.466  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        2.644  -0.440   0.901  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        2.899  -1.318   1.962  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        1.845  -2.007   2.560  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        0.539  -1.810   2.109  0.00  0.00    +0.010 A 
BRANCH  15  19
ATOM     19  C   LIG    1        3.743   0.301   0.223  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        4.909  -0.421   0.049  0.00  0.00    -0.280 N 
ATOM     21  H   LIG    1        4.883  -1.403   0.292  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        3.526   1.447  -0.149  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        6.115   0.039  -0.523  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1        7.165  -0.865  -0.690  0.00  0.00    +0.134 A 
ATOM     25  N   LIG    1        8.376  -0.558  -1.216  0.00  0.00    -0.261 NA
ATOM     26  C   LIG    1        8.554   0.722  -1.600  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        7.581   1.700  -1.479  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        6.346   1.350  -0.930  0.00  0.00    +0.026 A 
ENDBRANCH  20  23
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -4.151  -2.146  -0.441  0.00  0.00    +0.135 C 
ATOM     30  C   LIG    1       -3.895  -2.755  -1.817  0.00  0.00    +0.186 C 
ATOM     31  O   LIG    1       -3.823  -4.184  -1.663  0.00  0.00    -0.378 OA
ATOM     32  C   LIG    1       -3.603  -4.448  -0.274  0.00  0.00    +0.162 C 
ATOM     33  C   LIG    1       -4.346  -3.355   0.460  0.00  0.00    +0.057 C 
ENDBRANCH   8  29
TORSDOF 4