REMARK  Name = BDB021728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.808  -0.540   1.026  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.650   0.439   0.484  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.981   0.297   0.813  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        3.157  -0.098   1.722  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.218   1.360  -0.205  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.076   0.965   0.225  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        5.303   0.910   0.899  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        6.442   1.540   0.377  0.00  0.00    -0.048 A 
ATOM      9  C   LIG    1        7.753   1.460   1.101  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        6.352   2.198  -0.854  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        5.141   2.238  -1.555  0.00  0.00    -0.048 A 
ATOM     12  C   LIG    1        5.040   2.975  -2.859  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        4.006   1.627  -1.003  0.00  0.00    +0.026 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1       -3.302   0.276   0.307  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1       -2.467   1.384   0.772  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -1.244   0.835   1.511  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -0.654  -0.414   0.826  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -1.098  -0.506  -0.639  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -2.629  -0.514  -0.739  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1       -4.688   0.629  -0.068  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1       -4.793   1.859  -0.981  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -5.534   0.788   1.219  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -7.733  -0.103   0.261  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -7.034   1.025   1.003  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1        1.277  -1.841   1.526  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.200  -2.939   0.491  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        0.268  -3.979   0.624  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        0.193  -4.991  -0.334  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        1.047  -4.975  -1.435  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        1.977  -3.947  -1.579  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        2.054  -2.934  -0.622  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7