REMARK  Name = BDB062351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.852  -0.170   0.007  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.448   0.179   0.059  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.305  -0.837  -0.056  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.705  -0.774  -0.039  0.00  0.00    -0.272 N 
ATOM      5  C   LIG    1       -3.222  -2.077  -0.202  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.107  -2.933  -0.305  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -2.143  -4.355  -0.486  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.396  -2.406  -0.247  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.953  -2.156  -0.216  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.372  -2.434  -0.259  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.286  -1.446  -0.148  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.454   0.455   0.085  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -4.474   0.469   1.236  0.00  0.00    +0.109 C 
ATOM     14  N   LIG    1       -5.681   1.180   0.753  0.00  0.00    -0.303 NA
ATOM     15  C   LIG    1       -6.818   0.258   0.671  0.00  0.00    +0.105 C 
ATOM     16  C   LIG    1       -5.343   1.716  -0.576  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -4.289   0.784  -1.143  0.00  0.00    +0.042 C 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  N   LIG    1        1.738   0.897   0.138  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        1.197   1.742   0.242  0.00  0.00    +0.155 HD
BRANCH  18  22
ATOM     20  C   LIG    1        2.901   3.513   0.653  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        3.725   2.289   0.346  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1        3.132   1.033   0.093  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        3.990  -0.043  -0.168  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        5.391   0.106  -0.195  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.974   1.361   0.049  0.00  0.00    +0.071 A 
ATOM     26  N   LIG    1        7.306   1.555   0.033  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1        8.098   0.492  -0.228  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        7.621  -0.780  -0.479  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.246  -0.973  -0.461  0.00  0.00    +0.011 A 
ATOM     30  C   LIG    1        5.129   2.425   0.314  0.00  0.00    +0.033 A 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3