REMARK  Name = BDB059760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.209  -2.523   1.215  0.00  0.00    +0.233 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.972  -2.329  -0.100  0.00  0.00    +0.076 C 
BRANCH   2   6
ATOM      3  C   LIG    1       -4.758  -0.339   0.443  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -3.584   0.407   0.387  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.360  -0.236   0.197  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.300  -1.633   0.091  0.00  0.00    -0.044 A 
ATOM      7  C   LIG    1       -3.485  -2.374   0.199  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -4.709  -1.729   0.387  0.00  0.00    +0.046 A 
BRANCH   3   9
ATOM      9  O   LIG    1       -5.941   0.298   0.683  0.00  0.00    -0.475 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -5.967   1.422  -1.560  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -6.729   0.645  -0.478  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -7.409  -0.592  -1.080  0.00  0.00    +0.067 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -7.819   1.578   0.071  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -9.029   1.447  -0.047  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.333   2.654   0.732  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -8.134   3.119   1.050  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1        0.320  -1.294   1.717  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.530  -0.853   1.263  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        2.317  -1.452   0.281  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        3.539  -0.875  -0.087  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        3.996   0.300   0.524  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1        3.194   0.902   1.496  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        1.974   0.328   1.864  0.00  0.00    +0.048 A 
BRANCH  21  24
ATOM     24  N   LIG    1        5.205   0.915   0.151  0.00  0.00    -0.149 NA
ATOM     25  N   LIG    1        6.171   0.144   0.343  0.00  0.00    -0.149 NA
BRANCH  25  26
ATOM     26  C   LIG    1        7.380   0.768  -0.015  0.00  0.00    +0.086 A 
ATOM     27  C   LIG    1        7.644   1.167  -1.333  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1        8.866   1.758  -1.666  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        9.834   1.945  -0.681  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       11.339   2.672  -1.089  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        9.591   1.543   0.631  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1        8.368   0.952   0.960  0.00  0.00    +0.031 A 
ENDBRANCH  25  26
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10