REMARK  Name = BDB057093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.377  -0.182  -1.001  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -3.166  -0.226  -0.780  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.315   0.839  -1.112  0.00  0.00    -0.278 N 
ATOM      4  N   LIG    1       -2.545  -1.288  -0.160  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -1.705  -1.060   0.355  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -0.838   0.732  -1.191  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1       -0.099   1.531  -0.105  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        1.362   1.812  -0.484  0.00  0.00    +0.086 C 
ATOM      9  N   LIG    1        1.884   0.711  -1.294  0.00  0.00    -0.302 NA
ATOM     10  C   LIG    1        1.226   0.662  -2.617  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1       -0.257   1.057  -2.576  0.00  0.00    +0.038 C 
BRANCH   9  12
ATOM     12  C   LIG    1        3.347   0.722  -1.441  0.00  0.00    +0.088 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.120   0.412  -0.132  0.00  0.00    +0.003 C 
ATOM     14  C   LIG    1        5.630   0.371  -0.415  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1        6.437   0.026   0.832  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1        5.968  -1.277   1.469  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        4.473  -1.250   1.758  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1        3.660  -0.908   0.512  0.00  0.00    +0.005 C 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   6
BRANCH   4  19
ATOM     19  C   LIG    1       -3.098  -2.562   0.107  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -2.405  -3.395   0.995  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -2.863  -4.695   1.277  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1       -4.038  -5.151   0.666  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.727  -4.331  -0.223  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.256  -3.046  -0.507  0.00  0.00    +0.023 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -2.103  -5.577   2.234  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1       -2.225  -6.904   1.951  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -2.514  -5.430   3.523  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -0.764  -5.323   2.241  0.00  0.00    -0.166 F 
ENDBRANCH  21  25
ENDBRANCH   4  19
BRANCH   3  29
ATOM     29  C   LIG    1       -2.970   2.091  -1.522  0.00  0.00    +0.144 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.112   3.101  -0.398  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1       -3.751   2.756   0.803  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.899   3.694   1.829  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.426   4.996   1.658  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.818   5.360   0.460  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -2.663   4.424  -0.566  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH   3  29
TORSDOF 7