REMARK  Name = BDB036461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.746  -0.565   1.351  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.946   0.468   0.399  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.579   1.613   1.075  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1        0.613   2.893   0.530  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        1.050   3.017  -0.800  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        1.419   1.857  -1.506  0.00  0.00    +0.070 A 
ATOM      7  O   LIG    1        0.184   1.288   2.333  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.380   0.568  -0.934  0.00  0.00    +0.136 A 
ATOM      9  N   LIG    1        0.284  -0.082   2.509  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        0.990  -1.907   1.091  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1        1.189  -2.170   0.128  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1        0.447  -3.167   2.044  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1        1.101  -3.039   3.330  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1        0.626  -4.371   1.254  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -2.052  -2.669   1.026  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -1.299  -2.907   2.186  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -1.947  -2.947   3.423  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -3.329  -2.731   3.498  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.063  -2.442   2.349  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -3.423  -2.407   1.113  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -1.825  -3.762  -0.994  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -1.454  -2.627  -0.208  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -1.299  -3.312   4.570  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -1.094  -2.188   5.428  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  25
ATOM     25  N   LIG    1        1.080   4.303  -1.359  0.00  0.00    -0.283 N 
ATOM     26  H   LIG    1        0.822   5.074  -0.759  0.00  0.00    +0.155 HD
BRANCH  25  27
ATOM     27  C   LIG    1        1.437   4.820  -2.601  0.00  0.00    +0.219 A 
ATOM     28  N   LIG    1        1.843   4.038  -3.613  0.00  0.00    -0.223 NA
ATOM     29  C   LIG    1        2.164   4.643  -4.773  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1        2.097   5.998  -4.965  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        1.672   6.718  -3.879  0.00  0.00    +0.116 A 
ATOM     32  N   LIG    1        1.339   6.157  -2.700  0.00  0.00    -0.223 NA
ENDBRANCH  25  27
ENDBRANCH   5  25
BRANCH   8  33
ATOM     33  O   LIG    1        1.720  -0.597  -1.570  0.00  0.00    -0.494 OA
ATOM     34  C   LIG    1        2.232  -0.485  -2.893  0.00  0.00    +0.277 C 
ENDBRANCH   8  33
TORSDOF 8