REMARK  Name = BDB059705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.824   0.588  -0.835  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1       -0.630   1.295  -1.045  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        0.414   0.730  -1.785  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        0.278  -0.557  -2.309  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -0.911  -1.262  -2.128  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -1.954  -0.696  -1.389  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.793   1.361   0.869  0.00  0.00    +0.248 A 
ATOM      8  O   LIG    1       -4.114   2.513   1.125  0.00  0.00    -0.336 OA
ATOM      9  N   LIG    1       -2.872   2.384   0.509  0.00  0.00    -0.056 NA
ATOM     10  C   LIG    1       -2.919   1.169  -0.064  0.00  0.00    +0.202 A 
ATOM     11  N   LIG    1       -4.109   0.501   0.145  0.00  0.00    -0.190 NA
BRANCH   7  12
ATOM     12  C   LIG    1       -6.168   1.250   1.436  0.00  0.00    +0.162 C 
ATOM     13  C   LIG    1       -6.115   0.711   2.864  0.00  0.00    +0.038 C 
BRANCH  12  15
ATOM     14  C   LIG    1       -8.307   0.377   0.575  0.00  0.00    +0.401 C 
ATOM     15  N   LIG    1       -6.951   0.379   0.580  0.00  0.00    -0.270 N 
ATOM     16  H   LIG    1       -6.483  -0.318   0.014  0.00  0.00    +0.153 HD
ATOM     17  O   LIG    1       -9.012   1.120   1.241  0.00  0.00    -0.226 OA
BRANCH  14  19
ATOM     18  C   LIG    1      -10.172  -0.665  -0.360  0.00  0.00    +0.282 C 
ATOM     19  O   LIG    1       -8.749  -0.578  -0.276  0.00  0.00    -0.454 OA
ENDBRANCH  14  19
ENDBRANCH  12  15
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  O   LIG    1        1.249  -1.160  -3.075  0.00  0.00    -0.456 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.546  -1.088  -2.623  0.00  0.00    +0.129 A 
ATOM     22  C   LIG    1        3.524  -0.738  -3.551  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1        4.862  -0.678  -3.156  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        5.233  -0.989  -1.844  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        4.249  -1.353  -0.923  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        2.908  -1.414  -1.315  0.00  0.00    +0.050 A 
BRANCH  24  27
ATOM     27  O   LIG    1        6.572  -0.878  -1.592  0.00  0.00    -0.487 OA
BRANCH  27  28
ATOM     28  C   LIG    1        7.083  -1.431  -0.375  0.00  0.00    +0.264 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.001  -0.484   0.802  0.00  0.00    -0.010 A 
ATOM     30  C   LIG    1        7.091   0.904   0.629  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        7.041   1.761   1.730  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.913   1.240   3.016  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.840  -0.139   3.203  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        6.889  -0.997   2.103  0.00  0.00    +0.007 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 9