REMARK  Name = BDB013215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.648   0.193  -0.114  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.073  -0.779   0.749  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.284  -0.715   0.951  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.569  -1.723   1.827  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.529  -2.382   2.122  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.113   0.236   0.341  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.577   1.125  -0.453  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.568  -1.785   1.443  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.787   1.076  -0.665  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.821   0.357  -1.066  0.00  0.00    +0.088 A 
ATOM     11  C   LIG    1        5.132  -0.852  -1.170  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        3.771  -0.895  -0.856  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        3.088   0.265  -0.456  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        3.800   1.473  -0.367  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        5.162   1.524  -0.677  0.00  0.00    +0.027 A 
BRANCH  10  17
ATOM     16  C   LIG    1        8.334  -0.091   0.045  0.00  0.00    +0.200 C 
ATOM     17  S   LIG    1        7.552   0.412  -1.466  0.00  0.00    -0.006 S 
ATOM     18  O   LIG    1        7.901   1.798  -1.713  0.00  0.00    -0.170 OA
ATOM     19  O   LIG    1        7.799  -0.607  -2.468  0.00  0.00    -0.170 OA
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1       -2.467   0.209   0.597  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.881  -0.663   0.906  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.386   1.050  -0.149  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.784   0.839   0.381  0.00  0.00    -0.020 A 
ATOM     24  C   LIG    1       -5.746   0.024  -0.260  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -7.000  -0.126   0.325  0.00  0.00    +0.135 A 
ATOM     26  O   LIG    1       -7.783  -0.943  -0.431  0.00  0.00    -0.463 OA
ATOM     27  C   LIG    1       -7.043  -1.323  -1.503  0.00  0.00    +0.196 A 
ATOM     28  C   LIG    1       -7.389   0.475   1.518  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -6.435   1.273   2.152  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.789  -0.761  -1.447  0.00  0.00    +0.050 A 
ATOM     31  C   LIG    1       -5.163   1.449   1.601  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5