REMARK  Name = BDB014303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.857   0.411   1.710  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -0.674  -0.005   2.338  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -0.234   0.699   3.471  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.949   1.795   3.955  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.109   2.211   3.307  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.560   1.526   2.179  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -2.262  -0.239   0.573  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -3.554  -0.837   0.726  0.00  0.00    +0.229 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.844  -1.696  -0.505  0.00  0.00    +0.041 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -3.749  -0.948  -1.841  0.00  0.00    +0.004 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.625   0.304  -1.960  0.00  0.00    +0.014 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -6.742  -0.839  -2.805  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1       -6.129   0.077  -1.747  0.00  0.00    +0.095 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -6.834   1.417  -1.753  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -7.468   1.916  -2.667  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -6.693   2.071  -0.582  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -7.187   2.908  -0.720  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1        0.131  -1.178   1.827  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.343  -0.778   1.111  0.00  0.00    -0.296 N 
ATOM     20  C   LIG    1        2.556  -0.829   1.791  0.00  0.00    +0.247 C 
ATOM     21  O   LIG    1        2.663  -1.092   2.987  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1        1.154  -0.220  -0.224  0.00  0.00    +0.132 C 
BRANCH  20  23
ATOM     23  C   LIG    1        3.808  -0.573   1.048  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        4.177  -1.388  -0.024  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        5.380  -1.146  -0.694  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        6.236  -0.105  -0.294  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        5.857   0.685   0.804  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        4.654   0.451   1.478  0.00  0.00    +0.014 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.496   0.149  -0.992  0.00  0.00    +0.135 A 
ATOM     30  O   LIG    1        7.760  -0.640  -2.078  0.00  0.00    -0.463 OA
ATOM     31  C   LIG    1        8.959  -0.253  -2.583  0.00  0.00    +0.196 A 
ATOM     32  C   LIG    1        9.480   0.779  -1.843  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        8.540   1.039  -0.816  0.00  0.00    +0.050 A 
ENDBRANCH  26  29
ENDBRANCH  20  23
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 12