REMARK  Name = BDB041102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.910  -2.858   0.555  0.00  0.00    +0.178 A 
ATOM      2  C   LIG    1       -1.368  -1.701  -0.011  0.00  0.00    +0.165 A 
ATOM      3  N   LIG    1       -2.140  -0.745  -0.561  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1       -3.470  -0.938  -0.543  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1       -4.088  -2.023  -0.048  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1       -3.285  -2.959   0.495  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.299   0.085  -1.184  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -5.135   0.993  -0.486  0.00  0.00    -0.034 A 
ATOM      9  C   LIG    1       -5.910   1.907  -1.237  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -5.853   1.950  -2.630  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -5.018   1.079  -3.312  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.253   0.160  -2.595  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.280   1.075   1.033  0.00  0.00    +0.014 C 
ATOM     14  C   LIG    1       -3.971   1.049   1.826  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -6.278   0.044   1.564  0.00  0.00    +0.012 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  C   LIG    1       -1.629  -4.851   1.813  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -1.047  -3.783   1.075  0.00  0.00    -0.490 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  N   LIG    1        0.029  -1.503   0.071  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1        0.486  -2.393  -0.115  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        0.545  -0.399  -0.731  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.072  -0.292  -0.556  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1        2.648   0.714  -1.565  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        4.159   0.879  -1.406  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1        4.533   1.275   0.030  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1        3.960   0.276   1.046  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1        2.449   0.111   0.880  0.00  0.00    +0.006 C 
BRANCH  24  27
ATOM     27  C   LIG    1        6.029   1.462   0.192  0.00  0.00    +0.044 A 
ATOM     28  N   LIG    1        6.446   2.715   0.501  0.00  0.00    -0.260 NA
ATOM     29  C   LIG    1        7.773   2.916   0.651  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        8.724   1.922   0.507  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        8.288   0.643   0.189  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        6.925   0.406   0.029  0.00  0.00    +0.023 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 7