REMARK  Name = BDB031697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.970  -2.277  -1.196  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.808  -2.092   0.191  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.355  -1.466   0.654  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.371  -1.029  -0.185  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        2.350  -0.451   0.685  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        1.976  -0.559   1.964  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1        1.227  -1.231  -1.570  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1        0.772  -1.142   1.913  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1        0.284  -1.302   2.786  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1        0.064  -1.855  -2.049  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -3.856   1.237  -0.122  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -3.280   0.194  -0.862  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -3.912  -1.040  -0.909  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1       -3.590  -2.342  -1.587  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -2.210  -2.950  -1.737  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1       -4.761  -3.234  -1.240  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1       -5.607  -2.497  -0.431  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -6.471  -2.868  -0.067  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -4.906  -4.386  -1.613  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1       -2.942  -2.387  -2.940  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -5.127  -1.202  -0.228  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -5.725  -0.199   0.505  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -5.072   1.036   0.557  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1       -3.630   3.482   0.641  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.139   2.403  -0.144  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1        3.513   0.068   0.217  0.00  0.00    -0.282 N 
ATOM     27  H   LIG    1        3.634   0.096  -0.786  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1        4.340   1.034   0.835  0.00  0.00    +0.131 A 
ATOM     29  N   LIG    1        3.876   1.824   1.818  0.00  0.00    -0.220 NA
ATOM     30  C   LIG    1        4.732   2.698   2.362  0.00  0.00    +0.227 A 
ATOM     31  N   LIG    1        6.009   2.876   2.010  0.00  0.00    -0.201 NA
ATOM     32  C   LIG    1        6.438   2.070   1.029  0.00  0.00    +0.219 A 
ATOM     33  C   LIG    1        5.649   1.132   0.404  0.00  0.00    +0.111 A 
BRANCH  32  34
ATOM     34  O   LIG    1        7.744   2.158   0.583  0.00  0.00    -0.480 OA
ATOM     35  C   LIG    1        8.515   3.122   1.294  0.00  0.00    +0.279 C 
ENDBRANCH  32  34
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 5