REMARK  Name = BDB015001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.859  -0.140   0.685  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.326   0.626  -0.568  0.00  0.00    +0.169 C 
BRANCH   2   4
ATOM      3  C   LIG    1       -3.021   0.843  -2.447  0.00  0.00    +0.027 C 
ATOM      4  C   LIG    1       -2.656   0.064  -1.171  0.00  0.00    +0.086 C 
BRANCH   4   5
ATOM      5  N   LIG    1       -3.767  -0.065  -0.194  0.00  0.00    -0.293 NA
ATOM      6  C   LIG    1       -4.276   1.214   0.333  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1       -5.464   1.060   1.268  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1       -6.221  -0.124   1.295  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1       -7.324  -0.228   2.153  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -7.690   0.847   2.962  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -6.955   2.030   2.924  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.807  -1.296   0.445  0.00  0.00    +0.051 C 
ATOM     13  C   LIG    1       -5.849   2.137   2.080  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -4.877  -0.881  -0.703  0.00  0.00    +0.090 C 
ENDBRANCH   4   5
ENDBRANCH   2   4
BRANCH   2  15
ATOM     15  O   LIG    1       -1.423   2.032  -0.298  0.00  0.00    -0.387 OA
ATOM     16  H   LIG    1       -0.561   2.328   0.038  0.00  0.00    +0.210 HD
ENDBRANCH   2  15
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1       -0.600  -1.517   0.416  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.604  -1.878  -0.119  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        1.683  -1.033  -0.388  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        2.868  -1.541  -0.951  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.960  -2.912  -1.228  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        1.888  -3.759  -0.958  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        0.717  -3.241  -0.408  0.00  0.00    +0.045 A 
BRANCH  20  24
ATOM     24  C   LIG    1        4.040  -0.630  -1.236  0.00  0.00    +0.116 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.119  -0.867  -0.282  0.00  0.00    -0.309 NA
ATOM     26  H   LIG    1        4.763  -0.745   0.665  0.00  0.00    +0.123 HD
BRANCH  25  27
ATOM     27  C   LIG    1        6.271  -0.006  -0.509  0.00  0.00    +0.054 C 
ATOM     28  C   LIG    1        7.425  -0.370   0.425  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1        8.357   0.833   0.337  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        7.467   2.027  -0.014  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1        6.054   1.470  -0.173  0.00  0.00    +0.019 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9