REMARK  Name = BDB007872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.836  -2.416  -1.424  0.00  0.00    +0.145 C 
ATOM      2  C   LIG    1       -1.815  -2.646  -0.259  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1       -1.892  -3.648   0.438  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -2.576  -1.487  -0.089  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -2.041  -0.394  -0.859  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1       -1.307  -1.073  -1.998  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        3.429  -1.954  -0.558  0.00  0.00    +0.063 C 
ATOM      8  C   LIG    1        2.921  -2.857  -1.690  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1        1.487  -2.548  -2.126  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1        0.573  -2.517  -0.977  0.00  0.00    -0.291 NA
ATOM     11  C   LIG    1        0.986  -1.510   0.001  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1        2.379  -1.832   0.548  0.00  0.00    +0.027 C 
BRANCH   7  13
ATOM     13  C   LIG    1        3.836  -0.570  -1.072  0.00  0.00    +0.166 C 
ATOM     14  O   LIG    1        3.303  -0.064  -2.059  0.00  0.00    -0.292 OA
BRANCH  13  18
ATOM     15  C   LIG    1        6.871   1.782   0.904  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        6.452   0.575   1.468  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        5.471  -0.208   0.850  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        4.893   0.212  -0.352  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1        5.314   1.425  -0.915  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        6.297   2.206  -0.293  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1        8.300   3.674   1.077  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        7.834   2.442   1.614  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  13  18
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   4  23
ATOM     23  C   LIG    1       -3.385  -1.310   1.109  0.00  0.00    +0.182 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.413  -0.196   0.978  0.00  0.00    +0.127 A 
ATOM     25  N   LIG    1       -3.981   1.057   1.360  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1       -3.052   1.203   1.725  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -4.771   2.172   1.276  0.00  0.00    +0.255 A 
ATOM     28  O   LIG    1       -4.391   3.288   1.604  0.00  0.00    -0.268 OA
ATOM     29  C   LIG    1       -6.105   1.908   0.753  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1       -7.203   2.875   0.541  0.00  0.00    +0.043 C 
ATOM     31  C   LIG    1       -8.396   1.940   0.304  0.00  0.00    +0.011 C 
ATOM     32  C   LIG    1       -7.817   0.576  -0.102  0.00  0.00    +0.056 C 
ATOM     33  C   LIG    1       -6.419   0.658   0.413  0.00  0.00    +0.052 A 
ATOM     34  N   LIG    1       -5.599  -0.427   0.501  0.00  0.00    -0.237 NA
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 6