REMARK  Name = BDB019067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.723   0.140  -0.024  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1        1.004   1.292   0.382  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -0.356   1.151   0.550  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.824   2.357   1.002  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1        0.132   3.261   1.069  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -1.032  -0.058   0.310  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.361  -1.122  -0.047  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        1.276   2.605   0.687  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        1.006  -0.991  -0.208  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.645  -0.402   2.204  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        4.097  -0.165   0.790  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        3.180   0.092  -0.243  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        3.679   0.312  -1.537  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        5.048   0.268  -1.771  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1        5.866  -0.000  -0.688  0.00  0.00    +0.176 A 
ATOM     16  N   LIG    1        5.439  -0.210   0.584  0.00  0.00    -0.233 NA
BRANCH  15  17
ATOM     17  S   LIG    1        7.629  -0.055  -0.909  0.00  0.00    +0.011 S 
ATOM     18  O   LIG    1        7.944  -1.335  -1.518  0.00  0.00    -0.168 OA
ATOM     19  O   LIG    1        8.013   1.188  -1.556  0.00  0.00    -0.168 OA
ATOM     20  C   LIG    1        8.309  -0.039   0.728  0.00  0.00    +0.202 C 
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.397  -0.144   0.467  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.637  -1.133   0.500  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.260   0.501  -0.518  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.694   0.329  -0.115  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.429  -0.814  -0.416  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.027  -2.061  -1.112  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.406  -2.688  -1.318  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.322  -2.140  -0.344  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.743  -0.951   0.015  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.382   0.021   0.758  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.667   1.177   1.066  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.342   1.321   0.633  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.682   2.443   0.956  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5