REMARK  Name = BDB046390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.033  -0.301   1.629  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1        0.173   0.051   1.072  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        0.355  -0.242   0.118  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.264  -0.166   2.827  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.465  -1.333   0.418  0.00  0.00    -0.046 A 
ATOM      6  C   LIG    1       -3.405  -0.834   1.185  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -2.079  -0.859   0.709  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1       -1.806  -1.405  -0.563  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1       -2.868  -1.908  -1.325  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.179  -1.877  -0.838  0.00  0.00    +0.007 A 
BRANCH   8  11
ATOM     11  O   LIG    1       -0.500  -1.421  -0.986  0.00  0.00    -0.494 OA
ATOM     12  C   LIG    1       -0.204  -2.061  -2.223  0.00  0.00    +0.277 C 
ENDBRANCH   8  11
BRANCH   5  13
ATOM     13  C   LIG    1       -5.882  -1.312   0.938  0.00  0.00    +0.049 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -6.746  -0.058   0.667  0.00  0.00    +0.102 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -5.608   1.466  -1.101  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -6.718   0.473  -0.777  0.00  0.00    +0.011 C 
ENDBRANCH  14  16
BRANCH  14  17
ATOM     17  C   LIG    1       -6.540   1.032   1.709  0.00  0.00    +0.308 C 
ATOM     18  O   LIG    1       -5.634   1.069   2.525  0.00  0.00    -0.251 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -7.508   1.979   1.684  0.00  0.00    -0.480 OA
ATOM     20  H   LIG    1       -8.198   1.837   1.010  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  21
ATOM     21  C   LIG    1        1.282   0.468   1.890  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.443   0.896   1.034  0.00  0.00    -0.027 A 
ATOM     23  C   LIG    1        3.430  -0.028   0.660  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1        4.494   0.370  -0.150  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1        4.562   1.678  -0.634  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        3.578   2.599  -0.277  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        2.524   2.210   0.552  0.00  0.00    +0.005 A 
BRANCH  24  28
ATOM     28  O   LIG    1        5.410  -0.595  -0.502  0.00  0.00    -0.456 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.743  -0.284  -0.350  0.00  0.00    +0.128 A 
ATOM     30  C   LIG    1        7.254   0.325   0.799  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1        8.623   0.576   0.900  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        9.480   0.206  -0.137  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.971  -0.422  -1.274  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        7.603  -0.674  -1.378  0.00  0.00    +0.046 A 
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 11