REMARK  Name = BDB046015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.192   0.256   0.114  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1       -0.217   1.560   0.429  0.00  0.00    +0.148 A 
ATOM      3  N   LIG    1        0.482   2.731   0.639  0.00  0.00    -0.231 NA
ATOM      4  C   LIG    1       -0.442   3.628   0.909  0.00  0.00    +0.201 A 
ATOM      5  N   LIG    1       -1.703   3.088   0.888  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1       -1.574   1.760   0.580  0.00  0.00    +0.167 A 
ATOM      7  N   LIG    1       -2.545   0.849   0.449  0.00  0.00    -0.195 NA
ATOM      8  C   LIG    1       -2.088  -0.382   0.149  0.00  0.00    +0.222 A 
ATOM      9  N   LIG    1       -0.776  -0.696   0.007  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -2.952   3.789   1.145  0.00  0.00    +0.084 C 
ATOM     11  C   LIG    1       -3.002   4.347   2.568  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -3.207   4.883   0.109  0.00  0.00    +0.030 C 
ENDBRANCH   5  10
BRANCH   1  13
ATOM     13  N   LIG    1        1.537  -0.050  -0.098  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1        2.134   0.678   0.291  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.943  -1.407   0.214  0.00  0.00    +0.138 C 
BRANCH  15  19
ATOM     16  C   LIG    1        6.241  -1.706  -0.224  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        5.430  -1.528  -1.344  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        4.041  -1.434  -1.198  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        3.444  -1.519   0.068  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        4.264  -1.693   1.188  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        5.651  -1.787   1.039  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1        8.251  -1.740  -1.490  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        7.605  -1.813  -0.226  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   8  24
ATOM     24  N   LIG    1       -3.013  -1.407   0.016  0.00  0.00    -0.295 N 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.597  -2.663  -0.626  0.00  0.00    +0.136 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.051  -3.660   0.410  0.00  0.00    +0.174 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -0.730  -3.337   0.839  0.00  0.00    -0.393 OA
ATOM     28  H   LIG    1       -0.666  -2.361   0.770  0.00  0.00    +0.209 HD
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
BRANCH  24  29
ATOM     29  C   LIG    1       -4.430  -1.032  -0.085  0.00  0.00    +0.136 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.791  -0.417  -1.447  0.00  0.00    +0.174 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -4.817  -1.417  -2.467  0.00  0.00    -0.393 OA
ATOM     32  H   LIG    1       -4.907  -0.949  -3.315  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH   8  24
TORSDOF 12