REMARK  Name = BDB049876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.187  -1.514  -0.449  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1        1.077  -0.932  -0.166  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.191  -1.710   0.193  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.424  -1.096   0.477  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.591   0.291   0.366  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.510   1.080  -0.052  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        2.086  -3.206   0.322  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.903  -3.733  -0.470  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.274   0.454  -0.312  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.339  -2.940  -0.096  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1       -5.532   0.799   2.481  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -5.975   1.347   1.147  0.00  0.00    +0.217 C 
ATOM     13  N   LIG    1       -5.291   0.991  -0.019  0.00  0.00    -0.271 N 
ATOM     14  C   LIG    1       -3.991   0.395  -0.112  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1       -3.646  -0.352  -1.256  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1       -2.397  -0.992  -1.342  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1       -1.439  -0.851  -0.333  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1       -1.756  -0.049   0.766  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1       -4.612  -0.480  -2.401  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -5.351   0.837  -2.543  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -3.008   0.573   0.867  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -6.078   1.149  -1.247  0.00  0.00    +0.114 C 
ATOM     23  O   LIG    1       -6.997   2.044   1.114  0.00  0.00    -0.276 OA
ENDBRANCH   1  17
BRANCH   5  24
ATOM     24  C   LIG    1        4.887   0.860   0.676  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.055   0.535   0.019  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        7.036   1.283   0.602  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        8.438   1.297   0.261  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        6.589   2.075   1.593  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        5.280   1.810   1.643  0.00  0.00    +0.142 A 
ENDBRANCH   5  24
BRANCH   6  30
ATOM     30  C   LIG    1        2.625   2.574  -0.221  0.00  0.00    +0.372 C 
ATOM     31  F   LIG    1        1.588   3.120  -0.922  0.00  0.00    -0.204 F 
ATOM     32  F   LIG    1        2.636   3.229   0.974  0.00  0.00    -0.204 F 
ENDBRANCH   6  30
TORSDOF 3