REMARK  Name = LIG001284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.607  -3.568   1.094  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -2.405  -2.504   0.180  0.00  0.00    +0.118 A 
ATOM      3  C   LIG    1       -1.093  -2.118   0.354  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -0.554  -1.079  -0.383  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -1.377  -0.500  -1.283  0.00  0.00    -0.205 NA
ATOM      6  C   LIG    1       -2.651  -0.931  -1.406  0.00  0.00    +0.191 A 
ATOM      7  N   LIG    1       -0.590  -2.966   1.295  0.00  0.00    -0.272 N 
ATOM      8  H   LIG    1        0.361  -3.009   1.643  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -3.232  -1.915  -0.705  0.00  0.00    -0.218 NA
ATOM     10  N   LIG    1       -1.488  -3.838   1.789  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.692  -5.830   1.000  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -3.873  -4.345   1.319  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -4.405  -4.160   2.742  0.00  0.00    +0.014 C 
ENDBRANCH   1  12
BRANCH   4  14
ATOM     14  N   LIG    1        0.757  -0.652  -0.222  0.00  0.00    -0.323 N 
ATOM     15  H   LIG    1        1.106  -0.741   0.724  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.091   0.614  -0.854  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.508   0.986  -0.481  0.00  0.00    -0.030 A 
ATOM     18  C   LIG    1        2.762   1.974   0.479  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        4.075   2.305   0.835  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        5.154   1.641   0.237  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1        4.903   0.645  -0.718  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        3.590   0.320  -1.070  0.00  0.00    +0.007 A 
BRANCH  20  23
ATOM     23  N   LIG    1        6.500   1.957   0.579  0.00  0.00    -0.240 N 
ATOM     24  N   LIG    1        7.541   1.301  -0.000  0.00  0.00    -0.175 NA
ATOM     25  C   LIG    1        8.631   1.842   0.543  0.00  0.00    +0.135 A 
ATOM     26  C   LIG    1        8.326   2.844   1.473  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        6.953   2.900   1.480  0.00  0.00    +0.114 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   4  14
BRANCH   6  28
ATOM     28  S   LIG    1       -3.688  -0.136  -2.615  0.00  0.00    -0.083 S 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.953   1.542  -2.673  0.00  0.00    +0.111 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.462   2.550  -1.615  0.00  0.00    +0.070 C 
ATOM     31  C   LIG    1       -2.723   3.881  -1.807  0.00  0.00    +0.042 C 
ATOM     32  C   LIG    1       -3.298   2.087  -0.165  0.00  0.00    +0.042 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -4.852   2.808  -1.857  0.00  0.00    -0.388 OA
ATOM     34  H   LIG    1       -5.193   3.360  -1.132  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   6  28
TORSDOF 9