REMARK  Name = BDB049537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.546   1.674  -0.762  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1       -1.815   1.081  -0.628  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -2.867   1.756  -1.220  0.00  0.00    +0.146 A 
ATOM      4  N   LIG    1       -4.010   1.038  -1.019  0.00  0.00    -0.339 N 
ATOM      5  H   LIG    1       -4.917   1.323  -1.354  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -3.740  -0.096  -0.290  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -4.604  -1.109   0.148  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -4.064  -2.161   0.903  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1       -2.700  -2.162   1.204  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -1.843  -1.148   0.761  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1       -4.957  -3.264   1.397  0.00  0.00    +0.047 C 
ATOM     12  N   LIG    1       -2.812   2.917  -1.885  0.00  0.00    -0.197 NA
ATOM     13  C   LIG    1       -1.578   3.425  -1.916  0.00  0.00    +0.216 A 
ATOM     14  C   LIG    1       -2.370  -0.091  -0.014  0.00  0.00    +0.016 A 
ATOM     15  N   LIG    1       -0.469   2.861  -1.416  0.00  0.00    -0.199 NA
ENDROOT
BRANCH  13  16
ATOM     16  N   LIG    1       -1.415   4.625  -2.582  0.00  0.00    -0.327 N 
ATOM     17  H   LIG    1       -0.461   4.706  -2.904  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1       -2.151   4.742  -3.263  0.00  0.00    +0.145 HD
ENDBRANCH  13  16
BRANCH   1  19
ATOM     19  N   LIG    1        0.609   1.078  -0.253  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        0.545   0.068  -0.266  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.864   1.588  -0.776  0.00  0.00    +0.138 C 
BRANCH  21  26
ATOM     22  C   LIG    1        6.186  -1.683   1.373  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1        5.057  -0.860   0.825  0.00  0.00    -0.050 A 
ATOM     24  C   LIG    1        4.427   0.099   1.625  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        3.399   0.889   1.106  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        2.993   0.745  -0.228  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        3.629  -0.213  -1.029  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.658  -1.002  -0.508  0.00  0.00    +0.003 A 
ENDBRANCH  21  26
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   9  29
ATOM     29  O   LIG    1       -2.202  -3.189   1.960  0.00  0.00    -0.506 OA
ATOM     30  H   LIG    1       -1.260  -3.025   2.131  0.00  0.00    +0.292 HD
ENDBRANCH   9  29
TORSDOF 5