LA22-MMC
                    3D
 Structure written by MMmdl.
 63 66  0  0  1  0            999 V2000
   -2.9471   -3.4533    1.5381 O   0  0  0  0  0  0
    0.9838   -2.6386    3.7743 O   0  0  0  0  0  0
    0.3361   -5.6389   -1.7970 O   0  0  0  0  0  0
    1.7959   -4.8233    3.3196 O   0  0  0  0  0  0
    1.6724   -0.4622    3.9586 O   0  0  0  0  0  0
   -0.4808   -1.2493   -0.0018 N   0  0  0  0  0  0
   -1.2659   -3.8872   -0.0092 N   0  0  0  0  0  0
    3.3900   -6.5853    1.8042 N   0  0  0  0  0  0
    2.5427   -2.1093    5.2465 N   0  0  0  0  0  0
   -1.6617   -1.6561    0.7069 C   0  0  2  0  0  0
   -1.6658   -3.0999    1.1669 C   0  0  1  0  0  0
   -1.6176   -1.6742   -0.7679 C   0  0  2  0  0  0
   -1.5217   -3.1152   -1.2274 C   0  0  0  0  0  0
   -0.6528   -3.4444    2.2888 C   0  0  1  0  0  0
   -0.1172   -4.5953    0.2982 C   0  0  0  0  0  0
    0.2565   -4.3993    1.5639 C   0  0  0  0  0  0
    0.1075   -2.2491    2.7819 C   0  0  0  0  0  0
    0.6503   -5.4696   -0.6216 C   0  0  0  0  0  0
    1.4505   -5.0278    2.1590 C   0  0  0  0  0  0
   -3.5348   -4.4243    0.7530 C   0  0  0  0  0  0
    1.8398   -6.1244   -0.0311 C   0  0  0  0  0  0
    2.2113   -5.9201    1.2566 C   0  0  0  0  0  0
    2.6334   -7.0383   -0.9172 C   0  0  0  0  0  0
    1.7338   -1.6372    4.3035 C   0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0
    2.0000    0.0000   -1.4142 C   0  0  0  0  0  0
    3.7800    0.0000   -1.4142 S   0  0  0  0  0  0
   -0.7040    1.0092    0.0000 O   0  0  0  0  0  0
    3.8544    0.0000   -3.4729 S   0  0  0  0  0  0
    5.6344    0.0000   -3.4729 C   0  0  0  0  0  0
    6.1344    0.0000   -4.8871 C   0  0  0  0  0  0
    7.6344    0.0000   -4.8871 C   0  0  0  0  0  0
    8.3687    0.6309   -5.9799 N   0  0  0  0  0  0
    8.2625   -0.5468   -3.9399 N   0  0  0  0  0  0
    3.6652   -6.4227    2.7886 H   0  0  0  0  0  0
    3.9502   -7.2193    1.2081 H   0  0  0  0  0  0
    3.1962   -1.5619    5.7855 H   0  0  0  0  0  0
    2.6021   -3.0727    5.5386 H   0  0  0  0  0  0
   -2.2417   -0.9083    1.2466 H   0  0  0  0  0  0
   -2.1554   -0.9398   -1.3664 H   0  0  0  0  0  0
   -2.4637   -3.4298   -1.6779 H   0  0  0  0  0  0
   -0.7317   -3.2222   -1.9721 H   0  0  0  0  0  0
   -1.1265   -3.9419    3.1355 H   0  0  0  0  0  0
    0.6662   -1.8079    1.9565 H   0  0  0  0  0  0
   -0.5909   -1.5139    3.1819 H   0  0  0  0  0  0
   -4.5382   -4.6332    1.1239 H   0  0  0  0  0  0
   -3.5941   -4.0722   -0.2768 H   0  0  0  0  0  0
   -2.9362   -5.3344    0.7920 H   0  0  0  0  0  0
    2.1781   -7.0702   -1.9070 H   0  0  0  0  0  0
    3.6553   -6.6680   -0.9990 H   0  0  0  0  0  0
    2.6433   -8.0408   -0.4893 H   0  0  0  0  0  0
    1.8633   -0.8900    0.5138 H   0  0  0  0  0  0
    1.8633    0.8900    0.5138 H   0  0  0  0  0  0
    1.6367    0.8900   -1.9280 H   0  0  0  0  0  0
    1.6367   -0.8900   -1.9280 H   0  0  0  0  0  0
    5.9977   -0.8900   -2.9590 H   0  0  0  0  0  0
    5.9977    0.8900   -2.9590 H   0  0  0  0  0  0
    5.7711    0.8900   -5.4009 H   0  0  0  0  0  0
    5.7711   -0.8900   -5.4009 H   0  0  0  0  0  0
    9.4037    0.6290   -5.9767 H   0  0  0  0  0  0
    7.8544    1.0800   -6.7577 H   0  0  0  0  0  0
    9.2656   -0.4876   -4.0425 H   0  0  0  0  0  0
  1 11  1  0  0  0
  1 20  1  0  0  0
  2 17  1  0  0  0
  2 24  1  0  0  0
  3 18  2  0  0  0
  4 19  2  0  0  0
  5 24  2  0  0  0
  6 10  1  0  0  0
  6 12  1  0  0  0
  6 25  1  0  0  0
  7 11  1  0  0  0
  7 13  1  0  0  0
  7 15  1  0  0  0
  8 22  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 24  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 10 40  1  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 16  1  0  0  0
 14 17  1  0  0  0
 14 44  1  0  0  0
 15 16  2  0  0  0
 15 18  1  0  0  0
 16 19  1  0  0  0
 17 45  1  0  0  0
 17 46  1  0  0  0
 18 21  1  0  0  0
 19 22  1  0  0  0
 20 47  1  0  0  0
 20 48  1  0  0  0
 20 49  1  0  0  0
 21 22  2  0  0  0
 21 23  1  0  0  0
 23 50  1  0  0  0
 23 51  1  0  0  0
 23 52  1  0  0  0
 25 26  1  0  0  0
 25 29  2  0  0  0
 26 27  1  0  0  0
 26 53  1  0  0  0
 26 54  1  0  0  0
 27 28  1  0  0  0
 27 55  1  0  0  0
 27 56  1  0  0  0
 28 30  1  0  0  0
 30 31  1  0  0  0
 31 32  1  0  0  0
 31 57  1  0  0  0
 31 58  1  0  0  0
 32 33  1  0  0  0
 32 59  1  0  0  0
 32 60  1  0  0  0
 33 34  1  0  0  0
 33 35  2  0  0  0
 34 61  1  0  0  0
 34 62  1  0  0  0
 35 63  1  0  0  0
M  END
> <s_m_entry_id>
46

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
