REMARK  Name = BDB015510
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.341   0.216   0.134  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1       -0.821  -0.463   0.089  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.764  -1.760  -0.248  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        0.348  -2.422  -0.583  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1        1.471  -1.701  -0.554  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1        1.544  -0.388  -0.155  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        1.994   5.041  -0.037  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1        1.081   3.957   0.439  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -0.010   4.362   1.384  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -0.090   5.528   1.764  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -0.884   3.349   1.768  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -1.993   3.663   2.656  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -0.738   2.037   1.345  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1        0.260   1.647   0.528  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        1.178   2.674   0.054  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  N   LIG    1        2.599  -2.509  -0.823  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1        2.296  -3.450  -1.081  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.757  -1.961  -1.909  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1        3.984  -3.054  -2.829  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.402  -0.641  -2.384  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        5.206  -1.809  -0.842  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1        6.391  -1.286  -1.649  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        5.556  -3.132  -0.169  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   3  24
ATOM     24  O   LIG    1       -1.938  -2.499  -0.325  0.00  0.00    -0.421 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.981  -2.030   0.448  0.00  0.00    +0.156 A 
ATOM     26  C   LIG    1       -4.073  -1.339  -0.108  0.00  0.00    +0.092 A 
ATOM     27  C   LIG    1       -5.137  -0.904   0.692  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -6.059  -0.233  -0.155  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -5.556  -0.271  -1.435  0.00  0.00    +0.086 A 
ATOM     30  C   LIG    1       -5.116  -1.181   2.074  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1       -4.045  -1.892   2.625  0.00  0.00    +0.004 A 
ATOM     32  N   LIG    1       -4.360  -0.940  -1.399  0.00  0.00    -0.347 N 
ATOM     33  C   LIG    1       -3.533  -1.181  -2.561  0.00  0.00    +0.149 C 
ATOM     34  C   LIG    1       -2.995  -2.319   1.819  0.00  0.00    +0.048 A 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 6