REMARK  Name = BDB013083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.145   1.408  -1.936  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -1.735   2.135  -0.815  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -0.546   1.909  -0.166  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1       -0.464   2.712   0.876  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -1.587   3.510   0.884  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.315   0.913  -0.707  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -0.144   0.276  -1.808  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -2.321   3.172  -0.152  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1       -1.348   0.507  -2.444  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        1.621   0.530  -0.128  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        1.789   0.391   1.246  0.00  0.00    +0.121 A 
ATOM     12  N   LIG    1        2.949   0.030   1.852  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1        4.039  -0.182   1.086  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        3.961  -0.052  -0.302  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1        2.755   0.307  -0.909  0.00  0.00    +0.013 A 
BRANCH  13  16
ATOM     16  N   LIG    1        5.261  -0.548   1.686  0.00  0.00    -0.314 N 
ATOM     17  C   LIG    1        6.339   0.419   1.380  0.00  0.00    +0.117 C 
ATOM     18  C   LIG    1        7.509   0.350   2.365  0.00  0.00    +0.088 C 
ATOM     19  S   LIG    1        7.036   0.849   4.060  0.00  0.00    -0.158 S 
ATOM     20  C   LIG    1        5.323   0.192   4.082  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        5.135  -0.965   3.099  0.00  0.00    +0.117 C 
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  22
ATOM     22  N   LIG    1       -3.367   1.642  -2.527  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.374   1.140  -3.416  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.610   1.338  -1.820  0.00  0.00    +0.140 C 
BRANCH  24  32
ATOM     25  C   LIG    1       -6.047  -1.869  -3.336  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.703  -2.832  -2.389  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -4.996  -2.419  -1.279  0.00  0.00    +0.124 A 
ATOM     28  O   LIG    1       -4.598  -3.262  -0.273  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -3.660  -2.465   0.483  0.00  0.00    +0.234 C 
ATOM     30  C   LIG    1       -3.957  -0.986   0.237  0.00  0.00    +0.080 C 
ATOM     31  C   LIG    1       -4.638  -1.091  -1.077  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -4.985  -0.109  -2.000  0.00  0.00    -0.024 A 
ATOM     33  C   LIG    1       -5.689  -0.524  -3.147  0.00  0.00    +0.005 A 
ENDBRANCH  24  32
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 5