REMARK  Name = BDB058186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.387  -0.057   0.344  0.00  0.00    +0.165 A 
ATOM      2  N   LIG    1        0.945  -1.306   0.115  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.375  -1.423   0.070  0.00  0.00    +0.131 A 
ATOM      4  N   LIG    1       -1.073  -2.628  -0.057  0.00  0.00    -0.307 N 
ATOM      5  C   LIG    1       -2.395  -2.213  -0.543  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1       -2.666  -0.868   0.147  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1       -3.366  -3.362  -0.279  0.00  0.00    +0.182 C 
ATOM      8  O   LIG    1       -2.901  -4.545  -0.975  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -1.577  -4.936  -0.530  0.00  0.00    +0.179 C 
ATOM     10  C   LIG    1       -0.525  -3.810  -0.692  0.00  0.00    +0.135 C 
ATOM     11  C   LIG    1       -1.257  -0.360   0.209  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -0.738   0.887   0.436  0.00  0.00    +0.130 A 
ATOM     13  N   LIG    1        0.597   1.033   0.514  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        5.573   0.636   0.578  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1        4.733   1.673   0.702  0.00  0.00    -0.240 NA
ATOM     16  C   LIG    1        3.401   1.406   0.622  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1        2.841   0.146   0.419  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        3.761  -0.903   0.289  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1        5.134  -0.659   0.365  0.00  0.00    +0.044 A 
BRANCH  14  20
ATOM     20  N   LIG    1        6.933   0.925   0.641  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        7.399   0.361   1.342  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        7.011   1.919   0.844  0.00  0.00    +0.144 HD
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH  12  23
ATOM     23  N   LIG    1       -1.566   1.998   0.616  0.00  0.00    -0.310 N 
ATOM     24  C   LIG    1       -0.923   3.143   1.291  0.00  0.00    +0.134 C 
ATOM     25  C   LIG    1       -1.901   4.327   1.317  0.00  0.00    +0.178 C 
ATOM     26  O   LIG    1       -2.283   4.790   0.009  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1       -2.069   3.813  -1.020  0.00  0.00    +0.178 C 
ATOM     28  C   LIG    1       -2.373   2.375  -0.567  0.00  0.00    +0.134 C 
ENDBRANCH  12  23
TORSDOF 3