REMARK  Name = BDB014661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.125  -0.560   0.224  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.391  -1.708  -0.353  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.114  -2.135  -1.120  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.550   0.144   0.971  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -1.579  -0.273  -0.163  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -2.134   0.882   0.459  0.00  0.00    -0.482 OA
BRANCH   6   8
ATOM      7  C   LIG    1       -4.381   0.655   1.300  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -2.988   0.541   1.477  0.00  0.00    +0.126 A 
ATOM      9  C   LIG    1       -2.434   0.160   2.705  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -3.264  -0.157   3.775  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.643  -0.070   3.622  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.193   0.340   2.403  0.00  0.00    +0.009 A 
BRANCH   7  15
ATOM     13  C   LIG    1       -5.436  -1.131  -0.847  0.00  0.00    +0.105 C 
ATOM     14  N   LIG    1       -5.904   0.244  -0.732  0.00  0.00    -0.298 NA
ATOM     15  C   LIG    1       -4.960   1.143  -0.032  0.00  0.00    +0.090 C 
ATOM     16  C   LIG    1       -5.497   2.587   0.064  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -6.947   2.677   0.526  0.00  0.00    +0.003 C 
ATOM     18  C   LIG    1       -7.826   1.751  -0.302  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -7.299   0.318  -0.308  0.00  0.00    +0.084 C 
ENDBRANCH   7  15
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  20
ATOM     20  C   LIG    1        1.781  -2.090  -0.152  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.753  -1.342  -1.090  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.636   0.077  -0.920  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        2.196   0.256  -0.062  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        4.209  -1.797  -0.808  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.139  -1.605  -1.943  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        5.432  -0.185  -2.225  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        6.370   0.480  -1.238  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        7.286  -0.282  -0.489  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        8.176   0.360   0.382  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        8.171   1.750   0.496  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.273   2.507  -0.253  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.261  -1.788  -0.567  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        6.380   1.877  -1.119  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        6.416  -2.314  -1.738  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9