REMARK  Name = BDB029613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.362  -1.645   0.281  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.791  -2.566   0.245  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1        2.191  -1.988  -0.135  0.00  0.00    +0.084 C 
ATOM      4  C   LIG    1        2.366  -1.804  -1.645  0.00  0.00    +0.029 C 
ATOM      5  N   LIG    1        2.455  -0.719   0.598  0.00  0.00    -0.323 N 
ATOM      6  C   LIG    1        1.331   0.239   0.629  0.00  0.00    +0.121 C 
ATOM      7  C   LIG    1        0.015  -0.447   1.061  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        3.762  -0.222   0.587  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        4.093   1.119   0.340  0.00  0.00    +0.134 A 
ATOM     10  N   LIG    1        5.346   1.645   0.325  0.00  0.00    -0.249 NA
ATOM     11  C   LIG    1        6.359   0.777   0.586  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1        6.163  -0.565   0.863  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.855  -1.055   0.864  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.745   1.347   0.576  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        7.803   2.690   0.266  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.906   3.162   0.177  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        9.023   3.446   0.336  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.725   0.658   0.835  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   5   8
BRANCH   1  19
ATOM     19  C   LIG    1       -0.893  -1.329  -1.048  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -7.158   0.323  -0.314  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -6.897  -0.904   0.509  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1       -7.781  -1.441   1.169  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1       -5.621  -1.407   0.493  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -5.460  -2.231   1.056  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.583  -0.839  -0.254  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -4.823   0.293  -1.029  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1       -3.882   0.901  -1.781  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1       -2.645   0.351  -1.750  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1       -2.297  -0.772  -0.999  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1       -3.306  -1.383  -0.242  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1       -6.165   0.865  -1.043  0.00  0.00    +0.038 A 
BRANCH  20  33
ATOM     32  C   LIG    1       -8.861   1.669   0.951  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -8.558   0.871  -0.309  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5