REMARK  Name = BDB022894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.120  -2.454   2.930  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.094  -1.753   2.021  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.690  -1.140   0.809  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.558  -1.925   0.025  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -1.702  -3.131   0.221  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.183  -0.232   0.043  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.298   0.448   0.790  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.501   0.208   2.130  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.531   0.914   2.707  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.322   1.764   2.030  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.074   1.918   0.725  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.087   1.286   0.078  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        0.602  -0.691   2.902  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.350  -1.194  -1.079  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.312  -0.160  -0.441  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -4.615  -0.823   0.071  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -5.261  -1.712  -0.907  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -6.491  -2.277  -0.352  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -4.350  -2.779  -1.331  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.091  -2.201  -1.977  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.536   1.048  -1.351  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.403   1.015  -2.452  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.567   2.135  -3.271  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.867   3.308  -3.003  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.004   3.361  -1.915  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.840   2.241  -1.096  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        3.855   2.754  -0.051  0.00  0.00    -0.309 N 
ATOM     28  H   LIG    1        3.700   2.502  -1.020  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.248   2.869   0.338  0.00  0.00    +0.142 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.184   1.750  -0.000  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        7.568   1.776   0.036  0.00  0.00    +0.113 A 
ATOM     32  N   LIG    1        7.990   0.533  -0.338  0.00  0.00    -0.274 N 
ATOM     33  C   LIG    1        9.354   0.077  -0.461  0.00  0.00    +0.172 C 
ATOM     34  N   LIG    1        6.983  -0.308  -0.621  0.00  0.00    -0.180 NA
ATOM     35  C   LIG    1        5.888   0.429  -0.412  0.00  0.00    +0.139 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 5