AJICAP
                    3D
 Structure written by MMmdl.
 53 55  0  0  1  0            999 V2000
   -4.9823    3.1423   -0.6404 O   0  0  0  0  0  0
   -3.9726    2.5000    0.0000 C   0  0  0  0  0  0
   -2.7513    3.3709    0.0000 C   0  0  1  0  0  0
   -4.0897    1.3810    0.4868 O   0  0  0  0  0  0
   -1.9296    3.1011    1.2766 C   0  0  0  0  0  0
   -1.3217    1.6840    1.2766 C   0  0  0  0  0  0
   -0.5000    1.4142    0.0000 C   0  0  2  0  0  0
   -1.3217    1.6840   -1.2766 C   0  0  0  0  0  0
   -1.9296    3.1011   -1.2766 C   0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0
    1.4600    0.0000    0.0000 N   0  0  0  0  0  0
    2.1926    0.0000   -1.1110 C   0  0  0  0  0  0
    3.5496    0.0000   -0.6699 C   0  0  0  0  0  0
    3.5496    0.0000    0.6699 C   0  0  0  0  0  0
    2.1926    0.0000    1.1110 C   0  0  0  0  0  0
    1.7673    0.0000   -2.2656 O   0  0  0  0  0  0
    1.7673   -0.0000    2.2656 O   0  0  0  0  0  0
    4.9610    0.0000    1.7545 S   0  0  0  0  0  0
    5.5539   -1.5405    1.0884 C   0  0  0  0  0  0
    5.6267   -2.5635    2.1831 C   0  0  0  0  0  0
    4.2613   -2.7653    2.7705 C   0  0  0  0  0  0
    3.5883   -3.7289    2.1411 N   0  0  0  0  0  0
    3.7957   -2.1343    3.7149 O   0  0  0  0  0  0
   -7.4477    3.7876    0.5131 O   0  0  0  0  0  0
   -5.1247    0.5873   -1.7703 O   0  0  0  0  0  0
   -6.0634    2.3506   -0.6306 N   0  0  0  0  0  0
   -8.2089    1.5893   -0.2374 C   0  0  0  0  0  0
   -7.4412    0.5318   -0.9920 C   0  0  0  0  0  0
   -7.2187    2.7216   -0.0584 C   0  0  0  0  0  0
   -6.0652    1.1323   -1.1923 C   0  0  0  0  0  0
   -3.1151    4.3998    0.0000 H   0  0  0  0  0  0
   -2.5551    3.2396    2.1601 H   0  0  0  0  0  0
   -1.1291    3.8392    1.3555 H   0  0  0  0  0  0
   -2.1223    0.9459    1.3555 H   0  0  0  0  0  0
   -0.6962    1.5455    2.1601 H   0  0  0  0  0  0
    0.3889    2.0481    0.0000 H   0  0  0  0  0  0
   -2.1223    0.9459   -1.3555 H   0  0  0  0  0  0
   -0.6962    1.5455   -2.1601 H   0  0  0  0  0  0
   -1.1291    3.8392   -1.3555 H   0  0  0  0  0  0
   -2.5551    3.2396   -2.1601 H   0  0  0  0  0  0
   -0.3633   -0.5138   -0.8900 H   0  0  0  0  0  0
   -0.3633   -0.5138    0.8900 H   0  0  0  0  0  0
    4.4063    0.0000   -1.3283 H   0  0  0  0  0  0
    6.5461   -1.3939    0.6616 H   0  0  0  0  0  0
    4.8719   -1.8871    0.3120 H   0  0  0  0  0  0
    6.3087   -2.2169    2.9595 H   0  0  0  0  0  0
    5.9898   -3.5069    1.7752 H   0  0  0  0  0  0
    2.6522   -4.0339    2.3667 H   0  0  0  0  0  0
    3.9322   -4.2718    1.3619 H   0  0  0  0  0  0
   -8.5422    1.2405    0.7405 H   0  0  0  0  0  0
   -9.0748    1.9488   -0.7942 H   0  0  0  0  0  0
   -7.8859    0.3109   -1.9628 H   0  0  0  0  0  0
   -7.3533   -0.3975   -0.4282 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2  4  2  0  0  0
  3  9  1  0  0  0
  3  5  1  0  0  0
  3 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 10 42  1  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 16  2  0  0  0
 13 14  2  0  0  0
 13 43  1  0  0  0
 14 15  1  0  0  0
 14 18  1  0  0  0
 15 17  2  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 20 47  1  0  0  0
 21 22  1  0  0  0
 21 23  2  0  0  0
 22 48  1  0  0  0
 22 49  1  0  0  0
 24 29  2  0  0  0
 25 30  2  0  0  0
 26 29  1  0  0  0
 26 30  1  0  0  0
 27 28  1  0  0  0
 27 29  1  0  0  0
 27 50  1  0  0  0
 27 51  1  0  0  0
 28 30  1  0  0  0
 28 52  1  0  0  0
 28 53  1  0  0  0
M  END
> <s_m_entry_id>
91

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
