REMARK  Name = BDB046515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.412  -1.211   0.694  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1        1.458  -2.567   0.264  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        0.296  -3.350   0.312  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        0.319  -4.694  -0.064  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.499  -5.274  -0.525  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.657  -4.509  -0.598  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1       -0.921  -2.898   0.742  0.00  0.00    -0.478 OA
ATOM      8  C   LIG    1       -1.044  -1.489   0.752  0.00  0.00    +0.262 C 
ATOM      9  C   LIG    1        2.638  -3.167  -0.201  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        0.195  -0.621   1.001  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1        0.078   0.555   1.370  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        2.622  -0.400   0.810  0.00  0.00    +0.114 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.963   0.318  -0.499  0.00  0.00    +0.019 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.284   1.090  -0.432  0.00  0.00    +0.004 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.203   2.357   0.431  0.00  0.00    +0.031 C 
BRANCH  15  17
ATOM     16  C   LIG    1        6.156   3.527  -0.741  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1        5.537   3.100   0.581  0.00  0.00    +0.111 C 
BRANCH  17  18
ATOM     18  O   LIG    1        6.473   2.270   1.267  0.00  0.00    -0.392 OA
ATOM     19  H   LIG    1        6.147   2.160   2.176  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  20
ATOM     20  C   LIG    1       -1.704  -1.029  -0.556  0.00  0.00    +0.095 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.218  -1.231  -0.535  0.00  0.00    +0.233 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -3.793  -0.199  -1.356  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -5.010   0.199  -0.864  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -5.139   1.468  -0.273  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -6.404   1.861   0.190  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -7.506   1.012   0.058  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -7.362  -0.238  -0.548  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.114  -0.645  -1.014  0.00  0.00    +0.046 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -3.955   2.397  -0.124  0.00  0.00    +0.159 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.897   1.887   0.827  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1       -3.046   1.102   1.751  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -1.679   2.396   0.546  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -1.044   1.895   1.122  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 13