REMARK  Name = BDB003932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.333  -3.327  -1.187  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.421  -2.841  -2.138  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1       -0.421  -3.406  -3.420  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -1.285  -4.460  -3.731  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.156  -4.960  -2.764  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.180  -4.396  -1.489  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.503  -1.770  -1.843  0.00  0.00    +0.116 A 
ATOM      8  N   LIG    1        0.701  -0.679  -2.643  0.00  0.00    -0.129 NA
ATOM      9  N   LIG    1        1.596   0.104  -2.053  0.00  0.00    -0.064 NA
ATOM     10  N   LIG    1        1.948  -0.478  -0.885  0.00  0.00    -0.239 N 
ATOM     11  C   LIG    1        1.327  -1.685  -0.745  0.00  0.00    +0.139 A 
BRANCH  10  12
ATOM     12  C   LIG    1        2.931   0.146  -0.003  0.00  0.00    +0.195 C 
ATOM     13  C   LIG    1        2.574  -0.106   1.455  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        2.861  -1.163   2.020  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        1.842   0.845   2.109  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        1.395   0.352   2.880  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        2.526   1.855   2.724  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        2.499   1.963   3.948  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        3.210   2.883   1.853  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1        4.052   2.330   0.714  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1        3.199   1.623  -0.334  0.00  0.00    +0.037 C 
ENDBRANCH  10  12
ENDBRANCH   2   7
BRANCH   1  22
ATOM     22  O   LIG    1       -1.421  -2.779   0.068  0.00  0.00    -0.480 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.356  -1.696   0.076  0.00  0.00    +0.349 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.810  -0.477   0.810  0.00  0.00    +0.346 C 
ATOM     25  O   LIG    1       -0.734  -0.410   1.389  0.00  0.00    -0.247 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -2.720   0.536   0.714  0.00  0.00    -0.457 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -1.253   2.490   0.466  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1       -2.422   1.858   1.231  0.00  0.00    +0.105 C 
ATOM     29  C   LIG    1       -2.174   1.836   2.743  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -3.690   2.682   0.956  0.00  0.00    +0.055 C 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7