REMARK  Name = BDB004797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.067  -0.330  -0.058  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1       -2.385  -0.238  -0.558  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -3.374   0.224   0.334  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -4.699   0.305  -0.144  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -5.024  -0.047  -1.468  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -4.042  -0.480  -2.344  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -3.042   0.575   1.596  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1       -1.759   0.476   1.956  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -2.733  -0.572  -1.892  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.761   0.030   1.194  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -5.849   0.767   0.697  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -6.990   0.823   0.250  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -5.608   1.130   1.988  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -4.665   1.111   2.368  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -6.373   1.462   2.556  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.046  -0.791  -0.897  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.316  -1.689  -1.288  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.389  -0.789  -0.517  0.00  0.00    +0.090 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.748  -1.940   0.467  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.404  -1.714   1.872  0.00  0.00    -0.328 NA
ATOM     21  H   LIG    1        1.230  -2.604   2.332  0.00  0.00    +0.118 HD
ATOM     22  H   LIG    1        0.518  -1.194   1.894  0.00  0.00    +0.118 HD
ENDBRANCH  19  20
ENDBRANCH  18  19
BRANCH  18  23
ATOM     23  C   LIG    1        1.907   0.609  -0.121  0.00  0.00    +0.058 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.408   0.742  -0.263  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1        3.977   1.092  -1.495  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.363   1.198  -1.629  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.190   0.952  -0.535  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.634   0.602   0.694  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.249   0.497   0.830  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 7