REMARK  Name = BDB002841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.619   0.252   1.244  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -0.098   5.767  -0.651  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -0.210   4.350  -0.175  0.00  0.00    -0.050 A 
ATOM      4  C   LIG    1       -0.588   3.334  -1.058  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1       -0.723   2.017  -0.610  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.496   1.689   0.734  0.00  0.00    -0.039 A 
ATOM      7  C   LIG    1       -0.125   2.715   1.617  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        0.009   4.032   1.169  0.00  0.00    +0.003 A 
ENDBRANCH   1   6
BRANCH   1   9
ATOM      9  C   LIG    1       -1.878  -0.487   0.785  0.00  0.00    -0.039 A 
ATOM     10  C   LIG    1       -3.136   0.099   1.027  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -4.327  -0.538   0.658  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -4.291  -1.784   0.040  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.052  -2.384  -0.189  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -1.861  -1.748   0.178  0.00  0.00    +0.008 A 
BRANCH  12  15
ATOM     15  O   LIG    1       -5.365  -2.523  -0.366  0.00  0.00    -0.489 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -6.658  -1.909  -0.395  0.00  0.00    +0.167 C 
ATOM     17  C   LIG    1       -7.433  -2.573  -1.531  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -7.372  -2.148   0.933  0.00  0.00    +0.051 C 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   1   9
BRANCH   1  19
ATOM     19  C   LIG    1        0.739  -0.477   1.171  0.00  0.00    +0.108 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.354  -0.653  -0.209  0.00  0.00    +0.214 C 
ATOM     21  N   LIG    1        2.720  -0.865  -0.158  0.00  0.00    -0.315 N 
ATOM     22  H   LIG    1        3.205  -0.532   0.667  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1        0.714  -0.692  -1.253  0.00  0.00    -0.276 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.520  -0.909  -1.367  0.00  0.00    +0.105 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.698  -1.877  -1.261  0.00  0.00    +0.034 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.634  -1.640  -0.067  0.00  0.00    +0.085 C 
BRANCH  26  27
ATOM     27  N   LIG    1        6.107  -0.254   0.082  0.00  0.00    -0.308 NA
ATOM     28  C   LIG    1        6.992   0.140  -1.018  0.00  0.00    +0.104 C 
ATOM     29  C   LIG    1        6.813  -0.098   1.357  0.00  0.00    +0.104 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 10