REMARK  Name = BDB007676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.060   1.609   0.137  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.319   0.734   1.130  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.207  -0.118   1.273  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.647   2.542  -0.227  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.574   0.489  -0.606  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1        3.764   0.912  -1.872  0.00  0.00    -0.221 NA
ATOM      7  C   LIG    1        2.743   1.572  -2.458  0.00  0.00    +0.115 A 
ATOM      8  C   LIG    1        1.533   1.815  -1.838  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        1.358   1.347  -0.535  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1        2.403   0.681   0.103  0.00  0.00    +0.080 A 
BRANCH   5  11
ATOM     11  O   LIG    1        4.582  -0.174   0.065  0.00  0.00    -0.473 OA
BRANCH  11  16
ATOM     12  C   LIG    1        9.270  -0.317   0.707  0.00  0.00    +0.104 C 
ATOM     13  N   LIG    1        8.745  -0.562  -0.635  0.00  0.00    -0.305 NA
ATOM     14  C   LIG    1        8.060   0.613  -1.188  0.00  0.00    +0.087 C 
ATOM     15  C   LIG    1        6.687   0.878  -0.575  0.00  0.00    +0.060 C 
ATOM     16  C   LIG    1        5.795  -0.361  -0.679  0.00  0.00    +0.178 C 
ATOM     17  C   LIG    1        6.515  -1.565  -0.065  0.00  0.00    +0.060 C 
ATOM     18  C   LIG    1        7.894  -1.756  -0.691  0.00  0.00    +0.087 C 
ENDBRANCH  11  16
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1       -1.565   0.889   1.877  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.825   0.604   1.026  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.170   1.769   0.266  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -2.333   2.168  -0.061  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -4.012   0.229   1.950  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.227  -0.352   1.351  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -5.914   0.575   0.435  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -7.184  -0.018  -0.148  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -7.362  -1.412  -0.215  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -8.524  -1.939  -0.793  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -9.493  -1.088  -1.326  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -9.311   0.292  -1.280  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.334  -2.332   0.395  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -8.161   0.826  -0.697  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.995  -1.632   0.675  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8