REMARK  Name = BDB013067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.903   0.383  -0.465  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        0.123   1.467  -0.043  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -1.220   1.374   0.228  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1       -1.667   2.553   0.613  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -0.612   3.438   0.578  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.835   0.103   0.052  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.023  -0.885  -0.387  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        0.449   2.774   0.176  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        0.330  -0.778  -0.637  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -3.272  -0.172   0.271  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -3.723  -1.303   0.946  0.00  0.00    +0.119 A 
ATOM     12  N   LIG    1       -5.026  -1.601   1.175  0.00  0.00    -0.259 NA
ATOM     13  C   LIG    1       -5.969  -0.733   0.733  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -5.602   0.437   0.068  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -4.254   0.718  -0.163  0.00  0.00    +0.012 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -7.422  -1.046   0.998  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -8.366  -1.308  -0.154  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1       -7.953  -2.438   0.739  0.00  0.00    +0.010 C 
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  19
ATOM     19  N   LIG    1        2.249   0.570  -0.687  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        2.714   1.373  -0.281  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.133  -0.543  -0.974  0.00  0.00    +0.140 C 
BRANCH  21  29
ATOM     22  C   LIG    1        6.292   1.002  -2.482  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        7.144   1.076  -1.381  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        6.682   0.593  -0.175  0.00  0.00    +0.124 A 
ATOM     25  O   LIG    1        7.407   0.624   0.989  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        6.652  -0.224   1.883  0.00  0.00    +0.234 C 
ATOM     27  C   LIG    1        5.204  -0.294   1.397  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1        5.411   0.052  -0.030  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        4.540  -0.029  -1.113  0.00  0.00    -0.024 A 
ATOM     30  C   LIG    1        5.002   0.459  -2.349  0.00  0.00    +0.005 A 
ENDBRANCH  21  29
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 5