REMARK  Name = BDB047777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.833   0.010  -0.350  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1  10
ATOM      2  C   LIG    1        4.069   0.257   0.373  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        5.366   0.661   0.035  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1        5.741   1.195  -1.186  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        7.132   1.451  -1.043  0.00  0.00    +0.193 A 
ATOM      6  N   LIG    1        7.566   1.088   0.178  0.00  0.00    -0.073 NA
ATOM      7  C   LIG    1        4.766   1.352  -2.185  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        3.454   0.945  -1.903  0.00  0.00    +0.047 A 
ATOM      9  O   LIG    1        6.458   0.599   0.845  0.00  0.00    -0.354 OA
ATOM     10  C   LIG    1        3.115   0.395  -0.659  0.00  0.00    +0.127 A 
BRANCH   5  11
ATOM     11  C   LIG    1        8.037   2.043  -2.063  0.00  0.00    +0.438 C 
ATOM     12  F   LIG    1        7.705   3.334  -2.340  0.00  0.00    -0.164 F 
ATOM     13  F   LIG    1        7.968   1.373  -3.247  0.00  0.00    -0.164 F 
ATOM     14  F   LIG    1        9.346   2.050  -1.699  0.00  0.00    -0.164 F 
ENDBRANCH   5  11
BRANCH   2  15
ATOM     15  C   LIG    1        3.721  -0.324   1.720  0.00  0.00    +0.042 C 
BRANCH  15  17
ATOM     16  C   LIG    1        3.355  -2.427   3.053  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        3.754  -1.853   1.704  0.00  0.00    +0.001 C 
ENDBRANCH  15  17
ENDBRANCH   2  15
ENDBRANCH   1  10
BRANCH   1  18
ATOM     18  C   LIG    1        1.125  -0.656  -1.402  0.00  0.00    +0.230 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.030  -1.439  -0.783  0.00  0.00    +0.060 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.071  -0.538  -0.104  0.00  0.00    +0.108 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.259  -0.368  -0.966  0.00  0.00    -0.333 N 
ATOM     22  C   LIG    1       -2.124   0.604  -2.058  0.00  0.00    +0.129 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -3.435  -0.091  -0.220  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1       -4.572  -0.903  -0.400  0.00  0.00    -0.029 A 
ATOM     25  C   LIG    1       -4.541  -2.068  -1.352  0.00  0.00    +0.045 C 
ATOM     26  C   LIG    1       -5.747  -0.630   0.323  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -5.808   0.440   1.228  0.00  0.00    -0.036 A 
ATOM     28  C   LIG    1       -4.684   1.255   1.389  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -3.511   0.990   0.673  0.00  0.00    +0.023 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -7.072   0.712   2.006  0.00  0.00    +0.155 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -8.013   1.706   1.355  0.00  0.00    +0.309 C 
ATOM     32  O   LIG    1       -7.771   2.408   0.385  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -9.207   1.773   1.999  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1       -9.284   1.169   2.761  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12