MBT
                    3D
 Structure written by MMmdl.
 40 41  0  0  1  0            999 V2000
   -2.3544    3.4729    0.0000 S   0  0  0  0  0  0
   -2.2800    1.4142   -0.0000 S   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   -1.4142    0.0000 C   0  0  0  0  0  0
    1.5818   -2.0880    1.0719 N   0  0  0  0  0  0
    2.7087   -1.9154   -0.8679 O   0  0  0  0  0  0
    1.8920   -3.4830    1.3707 C   0  0  0  0  0  0
    3.1530   -3.5525    2.1802 C   0  0  0  0  0  0
    4.1526   -4.3338    1.4577 N   0  0  0  0  0  0
    5.3331   -3.8466    1.0836 C   0  0  0  0  0  0
    5.9926   -4.9218    0.4168 C   0  0  0  0  0  0
    5.1738   -5.9823    0.4308 C   0  0  0  0  0  0
    3.9753   -5.6052    1.1068 C   0  0  0  0  0  0
    5.7475   -2.7051    1.2820 O   0  0  0  0  0  0
    2.9785   -6.2915    1.3293 O   0  0  0  0  0  0
   -0.5000    1.4142    0.0000 C   0  0  0  0  0  0
   -4.1344    3.4729   -0.0000 C   0  0  0  0  0  0
   -4.7447    3.4729   -1.2138 N   0  0  0  0  0  0
   -6.1014    3.4729   -1.2369 C   0  0  0  0  0  0
   -6.8635    3.4729   -0.0699 C   0  0  0  0  0  0
   -6.2238    3.4729    1.1695 C   0  0  0  0  0  0
   -4.8311    3.4729    1.2076 C   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
    1.8633    0.5138    0.8900 H   0  0  0  0  0  0
    1.8633    0.5138   -0.8900 H   0  0  0  0  0  0
    0.9993   -1.7156    1.8082 H   0  0  0  0  0  0
    2.0275   -4.0326    0.4393 H   0  0  0  0  0  0
    1.0719   -3.9243    1.9371 H   0  0  0  0  0  0
    2.9437   -4.0275    3.1387 H   0  0  0  0  0  0
    3.5322   -2.5447    2.3492 H   0  0  0  0  0  0
    6.9815   -4.8593   -0.0140 H   0  0  0  0  0  0
    5.3581   -6.9619    0.0138 H   0  0  0  0  0  0
   -0.1367    1.9280    0.8900 H   0  0  0  0  0  0
   -0.1367    1.9280   -0.8900 H   0  0  0  0  0  0
   -6.5814    3.4729   -2.2084 H   0  0  0  0  0  0
   -7.9435    3.4729   -0.1267 H   0  0  0  0  0  0
   -6.7991    3.4729    2.0854 H   0  0  0  0  0  0
   -4.3017    3.4729    2.1507 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5  7  2  0  0  0
  6  8  1  0  0  0
  6 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 14  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 15  2  0  0  0
 12 13  2  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 16  2  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 37  1  0  0  0
 21 22  1  0  0  0
 21 38  1  0  0  0
 22 23  2  0  0  0
 22 39  1  0  0  0
 23 40  1  0  0  0
M  END
> <s_m_entry_id>
5

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
