REMARK  Name = BDB033734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.276   4.173  -1.453  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1        0.551   5.111  -1.177  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   6
ATOM      3  N   LIG    1        2.037   0.533  -1.712  0.00  0.00    -0.175 NA
ATOM      4  C   LIG    1        1.855   1.131  -3.049  0.00  0.00    +0.111 C 
ATOM      5  C   LIG    1        0.833   2.255  -2.962  0.00  0.00    +0.039 C 
ATOM      6  C   LIG    1        1.344   3.375  -2.055  0.00  0.00    +0.076 C 
ATOM      7  C   LIG    1        2.422   2.935  -1.061  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1        2.299   1.487  -0.602  0.00  0.00    +0.111 C 
BRANCH   3   9
ATOM      9  S   LIG    1        2.951  -0.906  -1.690  0.00  0.00    +0.080 S 
ATOM     10  O   LIG    1        2.413  -1.794  -2.702  0.00  0.00    -0.151 OA
ATOM     11  O   LIG    1        4.355  -0.547  -1.681  0.00  0.00    -0.151 OA
BRANCH   9  15
ATOM     12  C   LIG    1        1.964  -1.985   3.231  0.00  0.00    +0.172 C 
ATOM     13  N   LIG    1        2.287  -2.228   1.845  0.00  0.00    -0.273 N 
ATOM     14  N   LIG    1        2.357  -1.191   0.988  0.00  0.00    -0.151 NA
ATOM     15  C   LIG    1        2.698  -1.770  -0.182  0.00  0.00    +0.215 A 
ATOM     16  C   LIG    1        2.831  -3.174  -0.053  0.00  0.00    +0.070 A 
ATOM     17  C   LIG    1        2.554  -3.435   1.268  0.00  0.00    +0.110 A 
ENDBRANCH   9  15
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.498   3.683  -0.423  0.00  0.00    +0.219 A 
ATOM     19  N   LIG    1       -0.836   2.394  -0.362  0.00  0.00    -0.178 NA
ATOM     20  C   LIG    1       -1.614   1.997   0.665  0.00  0.00    +0.237 A 
ATOM     21  C   LIG    1       -2.062   2.847   1.645  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1       -1.659   4.151   1.502  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1       -0.882   4.588   0.486  0.00  0.00    -0.221 NA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.874   2.433   2.736  0.00  0.00    +0.106 C 
ATOM     25  N   LIG    1       -3.530   2.133   3.646  0.00  0.00    -0.191 NA
ENDBRANCH  21  24
BRANCH  20  26
ATOM     26  O   LIG    1       -1.984   0.668   0.749  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -1.470  -0.149  -0.310  0.00  0.00    +0.237 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.952  -1.606  -0.134  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -1.562  -2.174   1.255  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -2.871  -2.383   2.006  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -3.868  -2.697   0.908  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1       -3.497  -1.700  -0.181  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -1.334  -2.466  -1.248  0.00  0.00    +0.014 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH   1  18
TORSDOF 8