D18
                    3D
 Structure written by MMmdl.
 55 57  0  0  1  0            999 V2000
   -2.0888    5.9079   -1.3765 N   0  0  0  0  0  0
   -1.9266    5.4491    0.0000 C   0  0  0  0  0  0
   -3.4829    6.2755   -1.6066 C   0  0  0  0  0  0
   -1.2342    7.0690   -1.6071 C   0  0  0  0  0  0
   -1.4266    4.0349    0.0000 C   0  0  0  0  0  0
   -1.7623    3.1791    1.0424 C   0  0  0  0  0  0
   -1.2990    1.8688    1.0424 C   0  0  0  0  0  0
   -0.5000    1.4142    0.0000 C   0  0  0  0  0  0
   -0.1642    2.2700   -1.0424 C   0  0  0  0  0  0
   -0.6275    3.5803   -1.0424 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
    2.1108    0.0000   -1.2149 N   0  0  0  0  0  0
    3.4783    0.0000   -1.2318 C   0  0  0  0  0  0
    4.2730    0.0000   -0.0427 C   0  0  0  0  0  0
    3.5928    0.0000    1.1975 C   0  0  0  0  0  0
    2.1954    0.0000    1.2094 C   0  0  0  0  0  0
    4.2110    0.0000   -2.4393 C   0  0  0  0  0  0
    5.5704    0.0000   -2.4954 N   0  0  0  0  0  0
    6.2205    0.0000   -1.3041 C   0  0  0  0  0  0
    5.6403    0.0000   -0.0747 N   0  0  0  0  0  0
    7.6798    0.0000   -1.3495 N   0  0  0  0  0  0
    3.4801    0.0000   -3.7032 N   0  0  0  0  0  0
    4.2092    0.0000   -4.9681 C   0  0  0  0  0  0
    3.8463    1.2247   -5.7544 C   0  0  0  0  0  0
    4.5954    1.2247   -7.0540 C   0  0  0  0  0  0
    4.2324    2.4495   -7.8403 C   0  0  0  0  0  0
   -2.8867    5.4950    0.5138 H   0  0  0  0  0  0
   -1.2086    6.0883    0.5138 H   0  0  0  0  0  0
   -3.6035    6.6180   -2.6344 H   0  0  0  0  0  0
   -4.1203    5.4080   -1.4355 H   0  0  0  0  0  0
   -3.7657    7.0749   -0.9217 H   0  0  0  0  0  0
   -1.3557    7.4112   -2.6349 H   0  0  0  0  0  0
   -1.5155    7.8690   -0.9222 H   0  0  0  0  0  0
   -0.1934    6.7938   -1.4364 H   0  0  0  0  0  0
   -2.3844    3.5330    1.8539 H   0  0  0  0  0  0
   -1.5604    1.2025    1.8539 H   0  0  0  0  0  0
    0.4578    1.9161   -1.8539 H   0  0  0  0  0  0
   -0.3661    4.2466   -1.8539 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
    4.1628    0.0000    2.1157 H   0  0  0  0  0  0
    1.6536    0.0000    2.1457 H   0  0  0  0  0  0
    8.2247    0.0000   -0.4696 H   0  0  0  0  0  0
    8.1692   -0.0001   -2.2614 H   0  0  0  0  0  0
    2.4452   -0.0001   -3.7025 H   0  0  0  0  0  0
    3.9455   -0.8900   -5.5395 H   0  0  0  0  0  0
    5.2810    0.0000   -4.7697 H   0  0  0  0  0  0
    4.1100    2.1147   -5.1830 H   0  0  0  0  0  0
    2.7745    1.2247   -5.9528 H   0  0  0  0  0  0
    4.3316    0.3348   -7.6254 H   0  0  0  0  0  0
    5.6672    1.2247   -6.8556 H   0  0  0  0  0  0
    4.7768    2.4495   -8.7847 H   0  0  0  0  0  0
    3.1606    2.4495   -8.0387 H   0  0  0  0  0  0
    4.4962    3.3395   -7.2689 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  2  5  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 38  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 21  1  0  0  0
 16 17  2  0  0  0
 16 42  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 22  1  0  0  0
 22 44  1  0  0  0
 22 45  1  0  0  0
 23 24  1  0  0  0
 23 46  1  0  0  0
 24 25  1  0  0  0
 24 47  1  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 25 49  1  0  0  0
 25 50  1  0  0  0
 26 27  1  0  0  0
 26 51  1  0  0  0
 26 52  1  0  0  0
 27 53  1  0  0  0
 27 54  1  0  0  0
 27 55  1  0  0  0
M  END
> <s_m_entry_id>
30

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
