REMARK  Name = LIG001691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.228   0.907  -2.480  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -0.832  -0.026  -1.614  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -2.072   0.272  -1.078  0.00  0.00    -0.018 A 
ATOM      4  C   LIG    1       -2.910  -0.509  -0.124  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -4.117   0.301  -0.021  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.982   1.516  -0.677  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.739   2.467  -0.674  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.702   1.472  -1.393  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -2.139   2.415  -2.231  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.886   2.124  -2.777  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.133   0.021   0.986  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -4.824   0.746   2.305  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -3.684   0.995   2.694  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -5.905   1.011   3.115  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.697   1.460   3.996  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.216   0.658   2.915  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.062   0.850   3.784  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.537  -0.054   1.621  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.557   0.328   0.524  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.138   0.617  -3.052  0.00  0.00    +0.141 C 
BRANCH  20  23
ATOM     21  N   LIG    1        3.699   0.206  -0.421  0.00  0.00    -0.259 N 
ATOM     22  C   LIG    1        2.765  -0.202  -1.387  0.00  0.00    +0.306 C 
ATOM     23  N   LIG    1        2.161   0.840  -2.055  0.00  0.00    -0.295 N 
ATOM     24  H   LIG    1        2.690   1.694  -2.128  0.00  0.00    +0.151 HD
ATOM     25  O   LIG    1        2.472  -1.368  -1.642  0.00  0.00    -0.252 OA
ATOM     26  C   LIG    1        3.502   1.469   0.296  0.00  0.00    +0.140 C 
BRANCH  21  32
ATOM     27  C   LIG    1        7.993  -3.283   1.349  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1        6.885  -2.368   0.912  0.00  0.00    -0.032 A 
ATOM     29  C   LIG    1        6.569  -1.194   1.603  0.00  0.00    +0.046 A 
ATOM     30 CL   LIG    1        7.447  -0.718   3.015  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        5.528  -0.359   1.169  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1        4.757  -0.670   0.037  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        5.101  -1.838  -0.658  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1        6.140  -2.676  -0.229  0.00  0.00    +0.006 A 
ENDBRANCH  21  32
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 4