REMARK  Name = BDB059403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.082   0.780  -0.307  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.009   0.396  -1.108  0.00  0.00    +0.140 A 
ATOM      3  C   LIG    1        1.970   1.328  -1.508  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        1.874   2.650  -1.073  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.807   3.037  -0.264  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.164   2.111   0.125  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -3.053  -2.316   2.452  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -2.451  -1.570   1.316  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1       -2.801  -1.663  -0.021  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -2.001  -0.801  -0.751  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -2.160  -0.667  -2.130  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1       -3.087  -1.394  -2.768  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1       -3.880  -2.268  -2.063  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -4.585  -2.820  -2.537  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -1.117  -0.170   0.109  0.00  0.00    +0.058 A 
ATOM     16  C   LIG    1       -3.805  -2.464  -0.691  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -4.552  -3.266  -0.137  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -1.397  -0.621   1.389  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  N   LIG    1        0.743   4.384   0.199  0.00  0.00    -0.221 N 
ATOM     20  H   LIG    1       -0.186   4.809   0.154  0.00  0.00    +0.173 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.401   4.708   1.726  0.00  0.00    +0.040 S 
ATOM     22  O   LIG    1        0.760   5.931   2.163  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1        1.372   3.518   2.545  0.00  0.00    -0.155 OA
ATOM     24  C   LIG    1        3.087   5.103   1.314  0.00  0.00    +0.218 C 
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   2  25
ATOM     25  O   LIG    1        1.134  -0.894  -1.573  0.00  0.00    -0.437 OA
BRANCH  25  26
ATOM     26  C   LIG    1        1.663  -1.799  -0.659  0.00  0.00    +0.220 A 
ATOM     27  N   LIG    1        2.592  -1.381   0.232  0.00  0.00    -0.221 NA
ATOM     28  C   LIG    1        3.067  -2.312   1.085  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1        2.673  -3.642   1.076  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        1.734  -4.046   0.133  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        1.220  -3.110  -0.758  0.00  0.00    +0.067 A 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 5