REMARK  Name = BDB012362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.452  -0.397   0.463  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.641  -1.523  -0.538  0.00  0.00    -0.003 A 
ATOM      3  C   LIG    1        1.804  -1.625  -1.332  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        1.939  -2.687  -2.236  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.940  -3.648  -2.336  0.00  0.00    +0.124 A 
ATOM      6  F   LIG    1        1.083  -4.660  -3.201  0.00  0.00    -0.205 F 
ATOM      7  C   LIG    1       -0.199  -3.579  -1.548  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1       -0.345  -2.525  -0.647  0.00  0.00    +0.010 A 
BRANCH   3   9
ATOM      9  C   LIG    1        2.909  -0.663  -1.255  0.00  0.00    +0.009 C 
ATOM     10  C   LIG    1        3.771  -0.670  -0.226  0.00  0.00    +0.008 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.906   0.254  -0.102  0.00  0.00    -0.025 A 
ATOM     12  C   LIG    1        4.823   1.599  -0.492  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        5.916   2.453  -0.328  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        7.089   1.966   0.234  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1        8.136   2.786   0.391  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        7.189   0.642   0.641  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        6.095  -0.212   0.479  0.00  0.00    +0.011 A 
ENDBRANCH  10  11
ENDBRANCH   3   9
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1       -0.922  -0.046   0.656  0.00  0.00    -0.471 OA
BRANCH  18  20
ATOM     19  N   LIG    1       -2.841   1.119  -0.159  0.00  0.00    -0.182 N 
ATOM     20  C   LIG    1       -1.493   0.759  -0.251  0.00  0.00    +0.220 A 
ATOM     21  C   LIG    1       -1.015   1.379  -1.389  0.00  0.00    +0.088 A 
ATOM     22  C   LIG    1       -2.099   2.096  -1.909  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1       -3.201   1.960  -1.177  0.00  0.00    -0.170 NA
BRANCH  19  26
ATOM     24  C   LIG    1       -6.034   0.805   1.700  0.00  0.00    +0.064 A 
ATOM     25  C   LIG    1       -5.101   1.205   0.740  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -3.801   0.712   0.828  0.00  0.00    +0.158 A 
ATOM     27  N   LIG    1       -3.424  -0.145   1.814  0.00  0.00    -0.236 NA
ATOM     28  C   LIG    1       -4.347  -0.513   2.727  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1       -5.654  -0.071   2.715  0.00  0.00    +0.035 A 
BRANCH  24  31
ATOM     30  O   LIG    1       -7.827   2.101   0.754  0.00  0.00    -0.245 OA
ATOM     31  C   LIG    1       -7.413   1.334   1.602  0.00  0.00    +0.337 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -8.216   0.874   2.578  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -9.079   1.300   2.390  0.00  0.00    +0.295 HD
ENDBRANCH  31  32
ENDBRANCH  24  31
ENDBRANCH  19  26
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 8