REMARK  Name = BDB007517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.635  -1.143  -0.126  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.198  -1.221   0.973  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.208  -1.061   1.886  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.226  -0.922  -1.261  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.384  -0.839  -0.578  0.00  0.00    -0.042 A 
ATOM      6  C   LIG    1        2.998  -0.725  -0.770  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        2.094  -1.298   0.136  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        2.577  -2.013   1.237  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        3.952  -2.130   1.441  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.848  -1.544   0.544  0.00  0.00    +0.004 A 
BRANCH   5  14
ATOM     11  C   LIG    1        8.440   1.710  -1.027  0.00  0.00    +0.104 C 
ATOM     12  N   LIG    1        7.404   0.927  -1.683  0.00  0.00    -0.305 NA
ATOM     13  C   LIG    1        6.125   0.978  -0.965  0.00  0.00    +0.092 C 
ATOM     14  C   LIG    1        5.334  -0.196  -1.565  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1        6.409  -1.140  -2.130  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1        7.737  -0.496  -1.753  0.00  0.00    +0.085 C 
ENDBRANCH   5  14
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  C   LIG    1       -1.611  -0.891   0.853  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.836   0.623   0.954  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.575   1.049   2.306  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -2.450   1.323   2.654  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -3.252   1.080   0.525  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.238   1.135   1.634  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -5.408   1.959   1.246  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -6.371   1.286   0.290  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -6.445  -0.117   0.208  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -7.368  -0.716  -0.659  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -8.229   0.071  -1.423  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -8.171   1.460  -1.331  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.493  -0.976   1.003  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -7.250   2.065  -0.476  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.739  -0.179   2.078  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 7