REMARK  Name = BDB046502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.862   0.499  -2.046  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1        1.868  -0.610  -2.941  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        0.655  -1.081  -3.466  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        0.626  -2.129  -4.391  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.809  -2.742  -4.790  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.021  -2.296  -4.274  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1       -0.562  -0.531  -3.172  0.00  0.00    -0.478 OA
ATOM      8  C   LIG    1       -0.578   0.146  -1.924  0.00  0.00    +0.262 C 
ATOM      9  C   LIG    1        3.051  -1.235  -3.362  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        0.649   1.014  -1.588  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1        0.573   2.014  -0.867  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        3.103   1.135  -1.607  0.00  0.00    +0.114 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.770   0.431  -0.415  0.00  0.00    +0.019 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.942   0.498   0.873  0.00  0.00    +0.004 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.702  -0.127   2.051  0.00  0.00    +0.030 C 
BRANCH  15  17
ATOM     16  C   LIG    1        2.510   1.251   3.856  0.00  0.00    +0.036 C 
ATOM     17  C   LIG    1        2.949  -0.134   3.392  0.00  0.00    +0.147 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.751  -1.035   3.310  0.00  0.00    -0.066 NA
ATOM     19  O   LIG    1        1.812  -1.970   4.117  0.00  0.00    -0.149 OA
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       -1.869   0.978  -1.888  0.00  0.00    +0.095 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.086   0.142  -1.491  0.00  0.00    +0.233 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.857  -0.383  -0.178  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -3.942  -0.363   0.657  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -3.713   0.007   1.994  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.792   0.009   2.891  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -6.069  -0.359   2.465  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.280  -0.745   1.143  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.217  -0.755   0.240  0.00  0.00    +0.046 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -2.326   0.371   2.480  0.00  0.00    +0.159 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.704   1.524   1.730  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1       -2.257   2.545   1.354  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -0.389   1.323   1.498  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -0.118   2.015   0.845  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