REMARK  Name = BDB046505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.870   0.937  -0.048  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1        1.893   1.676   1.171  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        0.752   1.687   1.988  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        0.753   2.344   3.221  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.888   3.028   3.646  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.025   3.039   2.844  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1       -0.401   1.018   1.680  0.00  0.00    -0.478 OA
ATOM      8  C   LIG    1       -0.565   0.822   0.283  0.00  0.00    +0.262 C 
ATOM      9  C   LIG    1        3.030   2.364   1.618  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        0.685   0.325  -0.459  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1        0.628  -0.468  -1.399  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        3.092   0.650  -0.796  0.00  0.00    +0.114 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.856  -0.542  -0.210  0.00  0.00    +0.022 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.112  -0.900  -1.004  0.00  0.00    +0.030 C 
BRANCH  14  15
ATOM     15  C   LIG    1        6.235   0.124  -0.850  0.00  0.00    +0.159 C 
BRANCH  15  17
ATOM     16  C   LIG    1        8.184  -1.215  -1.130  0.00  0.00    +0.193 C 
ATOM     17  O   LIG    1        7.353  -0.198  -1.674  0.00  0.00    -0.383 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  18
ATOM     18  C   LIG    1       -1.742  -0.135   0.068  0.00  0.00    +0.095 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.027   0.388   0.706  0.00  0.00    +0.233 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -4.111  -0.510   0.462  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.899  -0.323  -0.642  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -6.054  -1.127  -0.702  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -6.919  -1.018  -1.803  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -6.644  -0.120  -2.832  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.501   0.671  -2.772  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.630   0.568  -1.684  0.00  0.00    +0.046 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -6.363  -2.122   0.395  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.499  -3.357   0.347  0.00  0.00    +0.309 C 
ATOM     29  O   LIG    1       -4.901  -3.825  -0.609  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -5.483  -4.011   1.530  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -4.896  -4.777   1.353  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   8  18
TORSDOF 12