REMARK  Name = BDB030077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.084   1.141   1.394  0.00  0.00    -0.112 NA
ATOM      2  H   LIG    1       -0.283   0.270   0.874  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1        1.434   1.270   1.593  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.769   2.226   1.742  0.00  0.00    +0.171 HD
ATOM      5  C   LIG    1        2.203   0.351   0.900  0.00  0.00    +0.262 C 
ATOM      6  O   LIG    1        1.697  -0.651   0.396  0.00  0.00    -0.269 OA
BRANCH   5   7
ATOM      7  C   LIG    1        3.660   0.618   0.773  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        4.260   1.770   1.278  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        3.522   2.699   1.907  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        5.632   1.970   1.132  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        6.375   3.393   1.760  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        6.422   1.024   0.477  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        5.843  -0.140  -0.041  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        4.459  -0.332   0.114  0.00  0.00    +0.026 A 
BRANCH  13  15
ATOM     15  C   LIG    1        6.630  -1.153  -0.729  0.00  0.00    +0.089 A 
ATOM     16  N   LIG    1        6.101  -2.356  -1.139  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1        7.088  -3.002  -1.717  0.00  0.00    +0.199 A 
ATOM     18  N   LIG    1        8.235  -2.266  -1.699  0.00  0.00    -0.339 N 
ATOM     19  C   LIG    1        9.506  -2.663  -2.247  0.00  0.00    +0.150 C 
ATOM     20  C   LIG    1        7.964  -1.081  -1.072  0.00  0.00    +0.115 A 
ENDBRANCH  13  15
ENDBRANCH   5   7
ENDBRANCH   1   3
BRANCH   1  21
ATOM     21  S   LIG    1       -0.777   2.463   0.568  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        0.062   3.611   0.850  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.031   2.030  -0.788  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.327   2.659   1.443  0.00  0.00    +0.190 C 
BRANCH  24  27
ATOM     25  C   LIG    1       -4.568  -0.401   1.400  0.00  0.00    +0.075 C 
ATOM     26  C   LIG    1       -3.172   0.223   1.419  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1       -3.419   1.681   1.024  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1       -4.773   2.020   1.667  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -5.415   0.687   2.063  0.00  0.00    +0.022 C 
BRANCH  25  33
ATOM     30  C   LIG    1       -7.666  -2.300  -1.850  0.00  0.00    +0.133 C 
ATOM     31  N   LIG    1       -6.442  -1.581  -1.541  0.00  0.00    -0.292 N 
ATOM     32  C   LIG    1       -6.168  -1.357  -0.198  0.00  0.00    +0.302 C 
ATOM     33  N   LIG    1       -4.995  -0.679   0.035  0.00  0.00    -0.296 N 
ATOM     34  H   LIG    1       -4.266  -0.992  -0.590  0.00  0.00    +0.151 HD
ATOM     35  O   LIG    1       -6.900  -1.735   0.713  0.00  0.00    -0.253 OA
ATOM     36  C   LIG    1       -5.911  -0.756  -2.619  0.00  0.00    +0.133 C 
ENDBRANCH  25  33
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 7