IMSA172
                    3D
 Structure written by MMmdl.
 75 81  0  0  1  0            999 V2000
  -11.8277   -3.7481   -2.4852 C   0  0  0  0  0  0
  -10.8581   -2.8292   -2.0588 C   0  0  0  0  0  0
   -9.5497   -3.0665   -2.5414 C   0  0  0  0  0  0
   -9.1605   -4.0598   -3.3458 N   0  0  0  0  0  0
  -10.1860   -4.8884   -3.6941 C   0  0  0  0  0  0
  -11.4895   -4.7854   -3.3089 N   0  0  0  0  0  0
   -8.8021   -2.0587   -1.9983 N   0  0  0  0  0  0
   -9.6568   -1.2866   -1.2411 C   0  0  0  0  0  0
  -10.9005   -1.7157   -1.2513 N   0  0  0  0  0  0
   -7.3736   -1.8013   -2.1553 C   0  0  1  0  0  0
   -7.0738   -0.4190   -2.0615 O   0  0  0  0  0  0
   -5.6691   -0.2896   -1.8779 C   0  0  2  0  0  0
   -5.2813   -1.5352   -1.0384 C   0  0  2  0  0  0
   -6.5411   -2.3928   -1.0276 C   0  0  1  0  0  0
   -7.2151   -2.2360    0.1664 O   0  0  0  0  0  0
   -4.8735   -1.2283    0.2830 O   0  0  0  0  0  0
   -3.8281   -2.2566    1.1483 P   0  0  0  0  0  0
   -3.7735   -1.7777    2.5437 O   0  0  0  0  0  0
   -4.2281   -3.6502    0.8666 O   0  0  0  0  0  0
   -2.3110   -2.0088    0.4269 O   0  0  0  0  0  0
   -1.1195   -2.0328    1.1892 C   0  0  0  0  0  0
   -0.5150   -0.6222    1.3105 C   0  0  1  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0
   -0.5359    1.4391    0.0000 C   0  0  2  0  0  0
   -1.0768    1.6026    1.4239 C   0  0  2  0  0  0
   -1.4769    0.2948    1.8041 O   0  0  0  0  0  0
   -2.1745    2.5610    1.5140 N   0  0  0  0  0  0
   -2.3457    3.6735    0.7501 C   0  0  0  0  0  0
   -3.5215    4.2596    1.2024 C   0  0  0  0  0  0
   -4.0674    3.5627    2.1953 N   0  0  0  0  0  0
   -3.2484    2.5428    2.3743 C   0  0  0  0  0  0
   -1.5393    4.1244   -0.2492 N   0  0  0  0  0  0
   -1.9302    5.2176   -0.8246 C   0  0  0  0  0  0
   -3.0896    5.8626   -0.4326 N   0  0  0  0  0  0
   -3.9690    5.4989    0.5535 C   0  0  0  0  0  0
   -4.9663    6.1844    0.7850 O   0  0  0  0  0  0
   -1.1660    5.8200   -1.9130 N   0  0  0  0  0  0
   -1.5559    1.7046   -0.9628 O   0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0
    2.0000    0.7071   -1.2247 C   0  0  0  0  0  0
    3.4600    0.7071   -1.2247 N   0  0  0  0  0  0
   -5.3731    1.1211   -1.3021 C   0  0  0  0  0  0
   -4.0650    1.6178   -1.5633 O   0  0  0  0  0  0
   -2.7997    0.6855   -1.1858 P   0  0  1  0  0  0
   -2.5602   -0.4646   -2.1005 O   0  0  0  0  0  0
   -3.2338    0.3206    0.4592 O   0  0  0  0  0  0
  -13.2185   -3.6187   -2.0602 N   0  0  0  0  0  0
   -9.9389   -5.7199   -4.3486 H   0  0  0  0  0  0
   -9.2766   -0.4180   -0.7100 H   0  0  0  0  0  0
   -7.0553   -2.1866   -3.1257 H   0  0  0  0  0  0
   -5.2258   -0.3718   -2.8723 H   0  0  0  0  0  0
   -4.4796   -2.0751   -1.5454 H   0  0  0  0  0  0
   -6.3370   -3.4558   -1.1617 H   0  0  0  0  0  0
   -7.3867   -3.0833    0.6692 H   0  0  0  0  0  0
   -0.4121   -2.7129    0.7155 H   0  0  0  0  0  0
   -1.3179   -2.4384    2.1829 H   0  0  0  0  0  0
    0.3096   -0.6503    2.0254 H   0  0  0  0  0  0
   -0.3012   -0.5653   -0.8814 H   0  0  0  0  0  0
    0.2678    2.1526   -0.1847 H   0  0  0  0  0  0
   -0.2843    1.9347    2.0967 H   0  0  0  0  0  0
   -3.3520    1.7443    3.1010 H   0  0  0  0  0  0
   -3.3479    6.7095   -0.9136 H   0  0  0  0  0  0
   -0.2917    5.3732   -2.2404 H   0  0  0  0  0  0
   -1.4984    6.6937   -2.3572 H   0  0  0  0  0  0
    1.8633   -1.0277   -0.0000 H   0  0  0  0  0  0
    1.8633    0.5138    0.8900 H   0  0  0  0  0  0
    1.6367    1.7348   -1.2247 H   0  0  0  0  0  0
    1.6367    0.1933   -2.1147 H   0  0  0  0  0  0
    3.7971    1.1831   -2.0493 H   0  0  0  0  0  0
    3.7971    1.1821   -0.3996 H   0  0  0  0  0  0
   -5.5801    1.1540   -0.2321 H   0  0  0  0  0  0
   -6.0598    1.8319   -1.7618 H   0  0  0  0  0  0
   -3.3865    1.1181    1.0429 H   0  0  0  0  0  0
  -13.4987   -2.8416   -1.4367 H   0  0  0  0  0  0
  -13.9240   -4.3039   -2.3824 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1 47  1  0  0  0
  2  3  2  0  0  0
  2  9  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 48  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 49  1  0  0  0
 10 14  1  0  0  0
 10 11  1  0  0  0
 10 50  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 12 51  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 13 52  1  0  0  0
 14 15  1  0  0  0
 14 53  1  0  0  0
 15 54  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 19  2  0  0  0
 17 20  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 55  1  0  0  0
 21 56  1  0  0  0
 22 26  1  0  0  0
 22 23  1  0  0  0
 22 57  1  0  0  0
 23 24  1  0  0  0
 23 39  1  0  0  0
 23 58  1  0  0  0
 24 25  1  0  0  0
 24 38  1  0  0  0
 24 59  1  0  0  0
 25 26  1  0  0  0
 25 27  1  0  0  0
 25 60  1  0  0  0
 27 31  1  0  0  0
 27 28  1  0  0  0
 28 29  2  0  0  0
 28 32  1  0  0  0
 29 30  1  0  0  0
 29 35  1  0  0  0
 30 31  2  0  0  0
 31 61  1  0  0  0
 32 33  2  0  0  0
 33 34  1  0  0  0
 33 37  1  0  0  0
 34 35  1  0  0  0
 34 62  1  0  0  0
 35 36  2  0  0  0
 37 63  1  0  0  0
 37 64  1  0  0  0
 38 44  1  0  0  0
 39 40  1  0  0  0
 39 65  1  0  0  0
 39 66  1  0  0  0
 40 41  1  0  0  0
 40 67  1  0  0  0
 40 68  1  0  0  0
 41 69  1  0  0  0
 41 70  1  0  0  0
 42 43  1  0  0  0
 42 71  1  0  0  0
 42 72  1  0  0  0
 43 44  1  0  0  0
 44 45  2  0  0  0
 44 46  1  0  0  0
 46 73  1  0  0  0
 47 74  1  0  0  0
 47 75  1  0  0  0
M  END
> <s_m_entry_id>
110

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
