REMARK  Name = BDB036197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.117   2.301  -0.351  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.520   1.567   0.877  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.619   0.494   0.671  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.790   1.098   0.015  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -2.482   1.828  -1.230  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -1.343   2.850  -0.984  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.969   0.349  -0.047  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -4.131  -0.952  -0.556  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1       -3.006  -1.762  -1.127  0.00  0.00    +0.067 C 
ATOM     10  N   LIG    1       -5.332  -1.595  -0.573  0.00  0.00    -0.245 NA
ATOM     11  C   LIG    1       -6.419  -0.944  -0.098  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1       -6.366   0.346   0.402  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -5.130   0.986   0.421  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -7.715  -1.698  -0.146  0.00  0.00    +0.260 C 
ATOM     15  O   LIG    1       -7.965  -2.544  -0.996  0.00  0.00    -0.269 OA
ATOM     16  N   LIG    1       -8.636  -1.426   0.839  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -9.424  -2.062   0.865  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1       -8.352  -1.014   1.717  0.00  0.00    +0.145 HD
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1        0.628   1.457  -1.300  0.00  0.00    +0.122 C 
BRANCH  19  29
ATOM     20  C   LIG    1        6.170  -1.232   0.729  0.00  0.00    +0.106 A 
ATOM     21  C   LIG    1        5.193  -2.368   0.414  0.00  0.00    +0.271 A 
ATOM     22  O   LIG    1        5.524  -3.535   0.558  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1        3.955  -1.983  -0.029  0.00  0.00    -0.317 N 
ATOM     24  H   LIG    1        3.281  -2.705  -0.249  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        3.619  -0.633  -0.182  0.00  0.00    +0.104 A 
ATOM     26  C   LIG    1        4.570   0.346   0.125  0.00  0.00    +0.090 A 
ATOM     27  C   LIG    1        4.226   1.690  -0.031  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        2.954   2.053  -0.488  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        1.999   1.072  -0.796  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        2.350  -0.271  -0.637  0.00  0.00    +0.153 A 
ATOM     31  F   LIG    1        1.454  -1.232  -0.916  0.00  0.00    -0.203 F 
ATOM     32  N   LIG    1        5.859   0.025   0.586  0.00  0.00    -0.245 NA
BRANCH  20  34
ATOM     33  C   LIG    1        8.468  -0.500   1.535  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1        7.538  -1.658   1.220  0.00  0.00    +0.057 C 
ENDBRANCH  20  34
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5