REMARK  Name = BDB012820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.282  -1.043  -1.174  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.230  -0.766  -1.136  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -0.491   0.193  -2.205  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -1.573   1.047  -2.332  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -1.523   2.005  -3.105  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.724   0.465  -2.952  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        1.651  -0.694  -2.619  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        1.793   3.083   1.409  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        2.345   1.740   1.034  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        1.619   0.992   0.172  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1        2.084  -0.228  -0.178  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        3.290  -0.726   0.310  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        4.038   0.053   1.195  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        3.553   1.307   1.566  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1        5.300  -0.452   1.724  0.00  0.00    -0.011 A 
ATOM     16  C   LIG    1        6.440   0.328   1.764  0.00  0.00    +0.053 A 
ATOM     17  S   LIG    1        7.786  -0.504   2.418  0.00  0.00    -0.104 S 
ATOM     18  C   LIG    1        6.864  -1.924   2.648  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        5.560  -1.766   2.234  0.00  0.00    +0.016 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1       -2.769   0.815  -1.557  0.00  0.00    +0.121 A 
ATOM     21  N   LIG    1       -3.707   1.807  -1.430  0.00  0.00    -0.272 N 
ATOM     22  H   LIG    1       -3.659   2.736  -1.837  0.00  0.00    +0.189 HD
ATOM     23  N   LIG    1       -4.773   1.476  -0.684  0.00  0.00    -0.178 NA
ATOM     24  C   LIG    1       -4.542   0.203  -0.343  0.00  0.00    +0.066 A 
ATOM     25  C   LIG    1       -3.310  -0.256  -0.873  0.00  0.00    +0.057 A 
BRANCH  24  26
ATOM     26  C   LIG    1       -5.523  -0.570   0.491  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1       -6.875  -0.716  -0.209  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1       -5.698   0.049   1.880  0.00  0.00    +0.014 C 
ENDBRANCH  24  26
ENDBRANCH   4  20
TORSDOF 4