REMARK  Name = BDB020953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.586   0.722  -0.749  0.00  0.00    -0.311 N 
ATOM      2  C   LIG    1        2.993  -0.341   0.076  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        1.758   0.190   0.830  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.770   0.836  -0.045  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.504   1.200   0.352  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.317   1.702  -0.427  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.193   1.078  -1.426  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.654   1.559  -1.530  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        7.332  -0.008  -2.303  0.00  0.00    +0.158 A 
ATOM     10  N   LIG    1        6.806   1.216  -2.534  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1        5.570   1.417  -2.003  0.00  0.00    +0.155 A 
ATOM     12  C   LIG    1        4.844   0.459  -1.279  0.00  0.00    +0.140 A 
ATOM     13  N   LIG    1        5.411  -0.751  -1.059  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1        6.648  -0.967  -1.579  0.00  0.00    +0.151 A 
BRANCH   9  16
ATOM     15  N   LIG    1        9.687  -0.537  -3.252  0.00  0.00    -0.189 NA
ATOM     16  C   LIG    1        8.633  -0.277  -2.836  0.00  0.00    +0.121 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -0.874   0.931   1.804  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.244   1.500   2.168  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.353   0.571   1.728  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1       -3.656   0.579   0.394  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.107   1.148  -0.249  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1       -4.606  -0.234  -0.169  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1       -4.829  -0.258  -1.373  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.338  -1.095   0.775  0.00  0.00    +0.065 A 
ATOM     25  C   LIG    1       -4.970  -1.032   2.123  0.00  0.00    +0.078 A 
ATOM     26  C   LIG    1       -5.647  -1.842   3.037  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -6.668  -2.697   2.611  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -7.023  -2.750   1.262  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.357  -1.948   0.337  0.00  0.00    +0.015 A 
ATOM     30  N   LIG    1       -3.947  -0.189   2.590  0.00  0.00    -0.234 NA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5