REMARK  Name = BDB064536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.002   0.619   0.775  0.00  0.00    +0.015 C 
ATOM      2  C   LIG    1       -0.632  -0.204  -0.411  0.00  0.00    +0.049 C 
ATOM      3  C   LIG    1       -1.579  -0.627   0.780  0.00  0.00    +0.105 C 
ATOM      4  O   LIG    1       -2.242   0.580   1.252  0.00  0.00    -0.369 OA
ATOM      5  C   LIG    1       -0.217  -0.722   1.578  0.00  0.00    +0.049 C 
ATOM      6  C   LIG    1       -1.162   1.525   1.253  0.00  0.00    +0.169 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.336   1.307   0.657  0.00  0.00    +0.111 C 
BRANCH   7   8
ATOM      8  N   LIG    1        2.365   0.386   0.183  0.00  0.00    -0.343 N 
ATOM      9  H   LIG    1        2.399  -0.471   0.730  0.00  0.00    +0.146 HD
BRANCH   8  13
ATOM     10  C   LIG    1        6.975  -0.636  -1.053  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1        6.011   0.331  -0.691  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1        4.682  -0.104  -0.459  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        3.682   0.836  -0.053  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        4.028   2.195   0.017  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        5.329   2.625  -0.231  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        4.411  -1.471  -0.661  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        5.429  -2.327  -1.042  0.00  0.00    +0.113 A 
ATOM     18  C   LIG    1        6.311   1.702  -0.571  0.00  0.00    +0.012 A 
ATOM     19  N   LIG    1        6.703  -1.941  -1.229  0.00  0.00    -0.240 NA
BRANCH  10  20
ATOM     20  N   LIG    1        8.317  -0.298  -1.267  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        8.707   0.143  -0.443  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        8.793  -1.172  -1.480  0.00  0.00    +0.144 HD
ENDBRANCH  10  20
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   3  23
ATOM     23  C   LIG    1       -2.474  -1.838   0.676  0.00  0.00    +0.264 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -3.312  -1.756  -0.481  0.00  0.00    -0.489 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -4.546  -1.164  -0.395  0.00  0.00    +0.125 A 
ATOM     26  C   LIG    1       -5.116  -0.589   0.690  0.00  0.00    +0.092 A 
ATOM     27  C   LIG    1       -6.423  -0.027   0.597  0.00  0.00    +0.141 A 
ATOM     28  N   LIG    1       -7.059  -0.095  -0.637  0.00  0.00    -0.306 N 
ATOM     29  C   LIG    1       -8.284   0.502  -0.484  0.00  0.00    +0.112 A 
ATOM     30  C   LIG    1       -8.337   0.898   0.832  0.00  0.00    +0.131 A 
ATOM     31  C   LIG    1       -6.491  -0.678  -1.763  0.00  0.00    +0.096 A 
ATOM     32  N   LIG    1       -7.183   0.566   1.495  0.00  0.00    -0.236 NA
ATOM     33  C   LIG    1       -5.261  -1.210  -1.669  0.00  0.00    +0.064 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7