REMARK  Name = BDB003864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.155   2.435   1.395  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1       -0.165   1.667   0.908  0.00  0.00    -0.208 NA
ATOM      3  C   LIG    1        0.925   1.517   1.712  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        1.056   2.099   2.966  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        0.013   2.897   3.426  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.113   3.076   2.626  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.016   0.649   1.165  0.00  0.00    +0.263 C 
ATOM      8  N   LIG    1        1.787   0.209  -0.120  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1        0.904   0.501  -0.540  0.00  0.00    +0.150 HD
ATOM     10  O   LIG    1        3.007   0.357   1.822  0.00  0.00    -0.269 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.678  -0.711  -0.816  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1        1.877  -1.464  -1.885  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        1.889  -2.687  -1.997  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        1.131  -0.679  -2.732  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        0.366  -1.218  -3.125  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        1.697  -0.070  -3.817  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        1.066  -0.054  -4.876  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        3.122   0.434  -3.761  0.00  0.00    +0.096 C 
ATOM     19  C   LIG    1        3.558   1.061  -2.447  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1        3.896   0.009  -1.389  0.00  0.00    +0.032 C 
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  O   LIG    1       -2.241   2.558   0.571  0.00  0.00    -0.465 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.350   1.826   1.081  0.00  0.00    +0.351 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.133   0.352   1.412  0.00  0.00    +0.346 C 
ATOM     24  O   LIG    1       -3.238  -0.107   2.542  0.00  0.00    -0.247 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -2.843  -0.348   0.284  0.00  0.00    -0.457 OA
BRANCH  25  27
ATOM     26  C   LIG    1       -1.302  -2.069   1.115  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -2.588  -1.777   0.335  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1       -3.786  -2.553   0.890  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1       -2.380  -2.185  -1.131  0.00  0.00    +0.055 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 7