REMARK  Name = BDB029575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.730   1.163  -0.406  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.223   0.091  -0.068  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1       -0.473  -0.984   0.393  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.106  -2.205   0.877  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -2.328  -2.583   0.048  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1       -3.242  -1.398  -0.088  0.00  0.00    -0.034 A 
ATOM      7  C   LIG    1       -4.624  -1.560  -0.216  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -5.449  -0.444  -0.388  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.918   0.850  -0.458  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -3.530   1.003  -0.343  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1       -2.697  -0.109  -0.160  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -5.720   1.997  -0.600  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -5.223   2.802  -0.968  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -7.032   2.275  -0.183  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -7.713   1.566   0.798  0.00  0.00    +0.158 A 
ATOM     16  N   LIG    1       -8.994   1.816   1.157  0.00  0.00    -0.156 NA
ATOM     17  N   LIG    1       -9.676   2.805   0.530  0.00  0.00    -0.158 NA
ATOM     18  C   LIG    1       -9.060   3.515  -0.435  0.00  0.00    +0.137 A 
ATOM     19  C   LIG    1       -7.752   3.282  -0.820  0.00  0.00    +0.046 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   3  20
ATOM     20  C   LIG    1        0.986  -0.870   0.473  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.663  -1.367  -0.813  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1        1.636  -2.808  -0.845  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        2.459  -3.073  -0.383  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        3.134  -0.910  -0.954  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.023  -1.643  -0.019  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        4.337  -0.853   1.192  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        5.349   0.256   0.998  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        6.256   0.231  -0.076  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        7.203   1.254  -0.213  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        7.266   2.286   0.723  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.381   2.305   1.799  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.170  -0.859  -1.114  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        5.430   1.294   1.938  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        5.295  -2.036  -0.661  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7