REMARK  Name = BDB021614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.785   1.087  -0.179  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.253   0.005   0.189  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.427  -1.107   0.283  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.921  -2.465   0.445  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        2.076  -2.735  -0.500  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        3.315  -2.441   0.124  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        3.564  -1.155   0.507  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        4.904  -1.004   0.913  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1        5.400   0.231   1.321  0.00  0.00    +0.135 A 
ATOM     10  C   LIG    1        4.561   1.334   1.375  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        3.230   1.192   0.983  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        2.704  -0.049   0.546  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -1.026  -0.929   0.104  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.435  -0.914  -1.384  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -1.064   0.303  -2.045  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1       -0.395   0.751  -1.481  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1       -2.949  -1.174  -1.583  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.864  -0.463  -0.663  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -5.236  -0.988  -0.833  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -6.283  -0.237  -0.039  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -6.049   1.077   0.397  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -7.046   1.766   1.101  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -8.278   1.163   1.348  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -8.522  -0.133   0.900  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.705   1.716   0.163  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -7.531  -0.830   0.207  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.874   0.992  -0.906  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  O   LIG    1        6.700   0.322   1.744  0.00  0.00    -0.424 OA
BRANCH  28  29
ATOM     29  C   LIG    1        7.604   0.879   0.847  0.00  0.00    +0.323 A 
ATOM     30  N   LIG    1        8.835   1.094   1.351  0.00  0.00    -0.200 NA
ATOM     31  C   LIG    1        9.741   1.620   0.498  0.00  0.00    +0.156 A 
ATOM     32  C   LIG    1        9.458   1.927  -0.810  0.00  0.00    +0.160 A 
ATOM     33  F   LIG    1       10.377   2.447  -1.629  0.00  0.00    -0.202 F 
ATOM     34  C   LIG    1        8.177   1.667  -1.227  0.00  0.00    +0.156 A 
ATOM     35  N   LIG    1        7.228   1.141  -0.422  0.00  0.00    -0.200 NA
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7