REMARK  Name = BDB003863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.467   0.712   0.942  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1       -1.198  -0.059   1.863  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1       -0.517  -0.660   2.932  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1        0.865  -0.526   3.059  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        1.590   0.205   2.116  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.936   0.823   1.047  0.00  0.00    +0.163 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.674  -0.288   1.792  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -3.302  -0.010   0.602  0.00  0.00    -0.300 N 
ATOM      9  H   LIG    1       -2.759   0.450  -0.128  0.00  0.00    +0.150 HD
ATOM     10  O   LIG    1       -3.281  -0.723   2.766  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -4.752  -0.079   0.448  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -5.155   0.938  -0.634  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.532   1.986  -0.817  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.310   0.715  -1.328  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.513   1.610  -1.766  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.231  -0.129  -2.401  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.365   0.319  -3.539  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.096  -1.611  -2.143  0.00  0.00    +0.096 C 
ATOM     19  C   LIG    1       -4.971  -2.012  -1.202  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1       -5.216  -1.517   0.219  0.00  0.00    +0.032 C 
ENDBRANCH   8  11
ENDBRANCH   2   7
BRANCH   1  22
ATOM     21  C   LIG    1       -1.321   2.710   0.164  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -1.110   1.321  -0.115  0.00  0.00    -0.491 OA
ENDBRANCH   1  22
BRANCH   6  23
ATOM     23  O   LIG    1        1.555   1.540   0.056  0.00  0.00    -0.477 OA
BRANCH  23  24
ATOM     24  C   LIG    1        2.963   1.703   0.095  0.00  0.00    +0.349 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.791   0.496  -0.341  0.00  0.00    +0.346 C 
ATOM     26  O   LIG    1        3.344  -0.572  -0.730  0.00  0.00    -0.247 OA
BRANCH  25  27
ATOM     27  O   LIG    1        5.115   0.804  -0.217  0.00  0.00    -0.457 OA
BRANCH  27  28
ATOM     28  C   LIG    1        6.138  -0.168  -0.561  0.00  0.00    +0.105 C 
ATOM     29  C   LIG    1        6.077  -0.538  -2.047  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        6.057  -1.403   0.342  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        7.467   0.553  -0.289  0.00  0.00    +0.055 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 8