L2-MC
                    3D
 Structure written by MMmdl.
 42 42  0  0  1  0            999 V2000
   -0.5000    3.5355    3.6742 C   0  0  0  0  0  0
    0.0465    2.6223    4.2825 O   0  0  0  0  0  0
   -0.0000    4.2426    2.4495 C   0  0  0  0  0  0
   -0.5000    3.5355    1.2247 C   0  0  0  0  0  0
   -0.0000    2.1213    1.2247 C   0  0  0  0  0  0
   -0.5000    1.4142    0.0000 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
    2.1771    0.0000    1.1338 C   0  0  0  0  0  0
    1.7361    0.0000    2.2832 O   0  0  0  0  0  0
    3.6435    0.0000    0.7545 C   0  0  0  0  0  0
    3.6435    0.0000   -0.7545 C   0  0  2  0  0  0
    4.4306    1.4464   -1.4304 S   0  0  0  0  0  0
    5.9736    1.0590   -0.6320 C   0  0  0  0  0  0
    7.0431    0.8842   -1.6691 C   0  0  0  0  0  0
    8.3434    0.5578   -0.9963 C   0  0  0  0  0  0
    9.3844    0.3877   -2.0058 N   0  0  0  0  0  0
    2.1771    0.0000   -1.1338 C   0  0  0  0  0  0
    1.7361   -0.0000   -2.2832 O   0  0  0  0  0  0
   -1.6955    4.0632    4.0410 O   0  0  0  0  0  0
    1.0900    4.2426    2.4495 H   0  0  0  0  0  0
   -0.3633    5.2703    2.4495 H   0  0  0  0  0  0
   -0.1367    4.0494    0.3348 H   0  0  0  0  0  0
   -1.5900    3.5355    1.2247 H   0  0  0  0  0  0
   -0.3633    1.6075    2.1147 H   0  0  0  0  0  0
    1.0900    2.1213    1.2247 H   0  0  0  0  0  0
   -0.1367    1.9280   -0.8900 H   0  0  0  0  0  0
   -1.5900    1.4142    0.0000 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
    4.1257   -0.8861    1.1686 H   0  0  0  0  0  0
    4.1257    0.8861    1.1686 H   0  0  0  0  0  0
    4.1257   -0.8861   -1.1686 H   0  0  0  0  0  0
    5.8661    0.1362   -0.0619 H   0  0  0  0  0  0
    6.2488    1.8716    0.0404 H   0  0  0  0  0  0
    7.1507    1.8070   -2.2393 H   0  0  0  0  0  0
    6.7679    0.0717   -2.3415 H   0  0  0  0  0  0
    8.2359   -0.3650   -0.4262 H   0  0  0  0  0  0
    8.6186    1.3703   -0.3239 H   0  0  0  0  0  0
    9.4844    1.2425   -2.5343 H   0  0  0  0  0  0
   10.2599    0.1667   -1.5533 H   0  0  0  0  0  0
   -1.9988    3.6106    4.8113 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  3  1  0  0  0
  1 20  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 18  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 18 19  2  0  0  0
 20 42  1  0  0  0
M  END
> <s_m_entry_id>
42

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
