REMARK  Name = BDB051187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.578   1.629   1.360  0.00  0.00    +0.005 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.143   1.143   1.591  0.00  0.00    +0.000 C 
BRANCH   2   3
ATOM      3  C   LIG    1        1.632   1.567   2.971  0.00  0.00    +0.000 C 
BRANCH   3   4
ATOM      4  C   LIG    1        0.247   1.007   3.305  0.00  0.00    +0.000 C 
BRANCH   4   5
ATOM      5  C   LIG    1       -0.864   1.553   2.404  0.00  0.00    +0.004 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -2.236   1.039   2.845  0.00  0.00    +0.027 C 
BRANCH   6   8
ATOM      7  C   LIG    1       -4.025   0.931   1.026  0.00  0.00    -0.027 C 
ATOM      8  C   LIG    1       -3.325   1.586   1.967  0.00  0.00    -0.031 C 
BRANCH   7   9
ATOM      9  C   LIG    1       -3.886  -0.504   0.602  0.00  0.00    +0.053 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -4.055  -1.058  -1.892  0.00  0.00    -0.027 C 
ATOM     11  C   LIG    1       -3.397  -0.594  -0.815  0.00  0.00    -0.027 C 
BRANCH  10  12
ATOM     12  C   LIG    1       -5.451  -1.607  -1.957  0.00  0.00    +0.053 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -6.943  -1.071  -3.910  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -6.342  -0.711  -2.768  0.00  0.00    -0.030 C 
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        4.110   1.280  -0.041  0.00  0.00    +0.036 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.291  -0.187  -0.388  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1        4.187  -0.663  -1.719  0.00  0.00    +0.103 A 
ATOM     18  C   LIG    1        4.282  -2.044  -1.980  0.00  0.00    +0.131 A 
ATOM     19  C   LIG    1        4.558  -2.947  -0.959  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        4.732  -2.484   0.339  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        4.602  -1.122   0.620  0.00  0.00    +0.004 A 
BRANCH  17  22
ATOM     22  C   LIG    1        3.991   0.218  -2.895  0.00  0.00    +0.341 C 
ATOM     23  O   LIG    1        3.413  -0.122  -3.916  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        4.620   1.400  -2.808  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        4.465   1.829  -3.676  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  17  22
BRANCH  18  26
ATOM     26  O   LIG    1        4.122  -2.594  -3.227  0.00  0.00    -0.506 OA
ATOM     27  H   LIG    1        3.754  -1.912  -3.829  0.00  0.00    +0.292 HD
ENDBRANCH  18  26
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 15