REMARK  Name = BDB059133
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.117   1.060  -1.175  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.532  -0.130  -1.931  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.937   0.263  -1.994  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.173   1.010  -0.676  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.115   1.520  -0.245  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1        5.631  -0.896   2.613  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1        4.233  -0.818   2.085  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        3.849  -0.021   0.995  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        4.509   0.871   0.109  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        3.569   1.352  -0.774  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        2.353   0.785  -0.457  0.00  0.00    -0.303 N 
ATOM     12  C   LIG    1        2.510  -0.057   0.621  0.00  0.00    +0.146 A 
ATOM     13  N   LIG    1        1.541  -0.788   1.206  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1        2.022  -1.515   2.235  0.00  0.00    +0.223 A 
ATOM     15  N   LIG    1        3.283  -1.571   2.700  0.00  0.00    -0.240 NA
ENDBRANCH   1  11
BRANCH   2  16
ATOM     16  O   LIG    1        1.076  -0.286  -3.243  0.00  0.00    -0.385 OA
ATOM     17  H   LIG    1        0.559   0.323  -3.812  0.00  0.00    +0.210 HD
ENDBRANCH   2  16
BRANCH   3  18
ATOM     18  O   LIG    1       -1.087   1.167  -3.112  0.00  0.00    -0.386 OA
ATOM     19  H   LIG    1       -2.039   1.363  -3.196  0.00  0.00    +0.210 HD
ENDBRANCH   3  18
BRANCH   4  20
ATOM     20  C   LIG    1       -1.764   0.140   0.455  0.00  0.00    +0.176 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.258  -0.072   0.283  0.00  0.00    -0.014 A 
ATOM     22  C   LIG    1       -4.148   0.957   0.635  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -5.521   0.785   0.470  0.00  0.00    +0.159 A 
ATOM     24  F   LIG    1       -6.350   1.782   0.807  0.00  0.00    -0.202 F 
ATOM     25  C   LIG    1       -6.026  -0.402  -0.043  0.00  0.00    +0.158 A 
ATOM     26  F   LIG    1       -7.346  -0.561  -0.204  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1       -5.165  -1.434  -0.395  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -3.786  -1.270  -0.233  0.00  0.00    +0.009 A 
ENDBRANCH  20  21
BRANCH  20  29
ATOM     29  O   LIG    1       -1.101  -1.119   0.529  0.00  0.00    -0.385 OA
ATOM     30  H   LIG    1       -0.189  -0.927   0.842  0.00  0.00    +0.210 HD
ENDBRANCH  20  29
ENDBRANCH   4  20
TORSDOF 6