SHR152852
                    3D
 Structure written by MMmdl.
118120  0  0  1  0            999 V2000
   -3.9238   -1.4511   -2.6113 C   0  0  2  0  0  0
   -4.7707   -1.6605   -1.3911 C   0  0  2  0  0  0
   -4.3816   -2.8217   -0.7549 O   0  0  0  0  0  0
   -3.0679   -2.8433   -0.3328 C   0  0  0  0  0  0
   -6.2111   -1.7702   -1.7950 C   0  0  2  0  0  0
   -6.6340   -0.5081   -2.4865 C   0  0  0  0  0  0
   -7.0579   -1.9797   -0.5747 C   0  0  0  0  0  0
   -7.1371   -1.2055    0.3745 O   0  0  0  0  0  0
   -7.7343   -3.1274   -0.6316 N   0  0  0  0  0  0
   -8.6457   -3.6261    0.3941 C   0  0  2  0  0  0
   -9.4568   -2.4878    0.9386 C   0  0  0  0  0  0
  -10.2478   -1.8616   -0.1714 C   0  0  0  0  0  0
  -11.1746   -2.6099   -0.8917 C   0  0  0  0  0  0
  -11.9053   -2.0207   -1.9212 C   0  0  0  0  0  0
  -11.7157   -0.6791   -2.2393 C   0  0  0  0  0  0
  -10.7878    0.0655   -1.5165 C   0  0  0  0  0  0
  -10.0578   -0.5219   -0.4883 C   0  0  0  0  0  0
   -9.1602    0.2132    0.2052 F   0  0  0  0  0  0
   -7.8547   -4.2524    1.5041 C   0  0  0  0  0  0
   -6.6358   -4.3544    1.5847 O   0  0  0  0  0  0
   -8.7047   -4.7149    2.4559 O   0  0  0  0  0  0
   -3.9543   -2.6484   -3.5631 C   0  0  0  0  0  0
   -2.5438   -2.7880   -4.1417 C   0  0  2  0  0  0
   -1.4910   -3.3378   -3.1952 C   0  0  0  0  0  0
   -1.6483   -1.8435   -3.3790 C   0  0  2  0  0  0
   -2.4995   -1.3331   -2.3075 N   0  0  0  0  0  0
   -2.0000   -0.7071   -1.2247 C   0  0  0  0  0  0
   -2.7010   -0.1986   -0.3440 O   0  0  0  0  0  0
   -0.5000   -0.7071   -1.2247 C   0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0
   -0.4600    1.3011   -0.0000 O   0  0  0  0  0  0
   -0.2511    1.9935   -1.1753 C   0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  2  0  0  0
    2.0000   -1.4142    0.0000 C   0  0  2  0  0  0
    1.5000   -2.1213    1.2247 C   0  0  0  0  0  0
    3.5000   -1.4142    0.0000 C   0  0  0  0  0  0
    4.0000   -2.8284    0.0000 C   0  0  0  0  0  0
    1.9867    0.6883    1.1921 N   0  0  0  0  0  0
    1.0180    0.5138    2.2704 C   0  0  0  0  0  0
    3.1311    1.3666    1.2815 C   0  0  0  0  0  0
    3.4943    1.9286    2.3106 O   0  0  0  0  0  0
    3.8921    1.3494   -0.0109 C   0  0  2  0  0  0
    5.1975    0.7308    0.2012 N   0  0  0  0  0  0
    6.2637    1.3338    0.7277 C   0  0  0  0  0  0
    6.2529    2.5043    1.0975 O   0  0  0  0  0  0
    7.4447    0.4122    0.8042 C   0  0  2  0  0  0
    7.4336   -0.3066    2.1207 C   0  0  0  0  0  0
    6.1687   -1.1033    2.2447 C   0  0  0  0  0  0
    7.5063    0.6930    3.2368 C   0  0  0  0  0  0
    8.6759    1.1877    0.6835 N   0  0  0  0  0  0
    9.8258    0.2912    0.7579 C   0  0  0  0  0  0
    4.0786    2.7551   -0.5001 C   0  0  0  0  0  0
    2.7374    3.3907   -0.7180 C   0  0  0  0  0  0
    4.8396    2.7379   -1.7926 C   0  0  0  0  0  0
   -4.2695   -0.5453   -3.1134 H   0  0  0  0  0  0
   -4.6466   -0.8159   -0.7134 H   0  0  0  0  0  0
   -2.8585   -3.7956    0.1545 H   0  0  0  0  0  0
   -2.4081   -2.7220   -1.1919 H   0  0  0  0  0  0
   -2.8995   -2.0295    0.3725 H   0  0  0  0  0  0
   -6.3351   -2.6149   -2.4727 H   0  0  0  0  0  0
   -7.6808   -0.5878   -2.7799 H   0  0  0  0  0  0
   -6.5100    0.3366   -1.8087 H   0  0  0  0  0  0
   -6.0187   -0.3559   -3.3732 H   0  0  0  0  0  0
   -7.6988   -3.7920   -1.3913 H   0  0  0  0  0  0
   -9.3116   -4.3706   -0.0424 H   0  0  0  0  0  0
   -8.7909   -1.7434    1.3751 H   0  0  0  0  0  0
  -10.1372   -2.8602    1.7044 H   0  0  0  0  0  0
  -11.3275   -3.6532   -0.6503 H   0  0  0  0  0  0
  -12.6240   -2.6092   -2.4765 H   0  0  0  0  0  0
  -12.2821   -0.2199   -3.0383 H   0  0  0  0  0  0
  -10.6291    1.1082   -1.7512 H   0  0  0  0  0  0
   -8.1955   -5.1059    3.1474 H   0  0  0  0  0  0
   -4.6938   -2.4898   -4.3495 H   0  0  0  0  0  0
   -4.2434   -3.5606   -3.0379 H   0  0  0  0  0  0
   -2.4452   -2.9376   -5.2199 H   0  0  0  0  0  0
   -0.6084   -3.8182   -3.6205 H   0  0  0  0  0  0
   -1.8010   -3.8200   -2.2649 H   0  0  0  0  0  0
   -0.9199   -1.1994   -3.8824 H   0  0  0  0  0  0
   -0.1367   -0.1933   -2.1147 H   0  0  0  0  0  0
   -0.1367   -1.7348   -1.2247 H   0  0  0  0  0  0
   -0.3633   -0.5138    0.8900 H   0  0  0  0  0  0
   -0.6466    3.0044   -1.0766 H   0  0  0  0  0  0
    0.8176    2.0403   -1.3844 H   0  0  0  0  0  0
   -0.7593    1.4828   -1.9932 H   0  0  0  0  0  0
    1.8633    0.5138   -0.8900 H   0  0  0  0  0  0
    1.6367   -1.9280   -0.8900 H   0  0  0  0  0  0
    1.8633   -1.6075    2.1147 H   0  0  0  0  0  0
    0.4100   -2.1213    1.2247 H   0  0  0  0  0  0
    1.8633   -3.1490    1.2247 H   0  0  0  0  0  0
    3.8633   -0.9004    0.8900 H   0  0  0  0  0  0
    3.8633   -0.9004   -0.8900 H   0  0  0  0  0  0
    5.0900   -2.8284    0.0000 H   0  0  0  0  0  0
    3.6367   -3.3423    0.8900 H   0  0  0  0  0  0
    3.6367   -3.3423   -0.8900 H   0  0  0  0  0  0
    1.3740    1.0250    3.1649 H   0  0  0  0  0  0
    0.0588    0.9347    1.9688 H   0  0  0  0  0  0
    0.8979   -0.5486    2.4826 H   0  0  0  0  0  0
    3.3352    0.7773   -0.7530 H   0  0  0  0  0  0
    5.1625   -0.2277   -0.1154 H   0  0  0  0  0  0
    7.3919   -0.3142   -0.0068 H   0  0  0  0  0  0
    8.2918   -0.9763    2.1763 H   0  0  0  0  0  0
    5.3105   -0.4336    2.1891 H   0  0  0  0  0  0
    6.1159   -1.8297    1.4337 H   0  0  0  0  0  0
    6.1606   -1.6256    3.2014 H   0  0  0  0  0  0
    6.6481    1.3627    3.1812 H   0  0  0  0  0  0
    7.4982    0.1707    4.1934 H   0  0  0  0  0  0
    8.4254    1.2720    3.1467 H   0  0  0  0  0  0
    8.6833    1.6728   -0.2023 H   0  0  0  0  0  0
   10.7446    0.8706    0.6678 H   0  0  0  0  0  0
    9.8180   -0.2311    1.7146 H   0  0  0  0  0  0
    9.7733   -0.4352   -0.0531 H   0  0  0  0  0  0
    4.6355    3.3272    0.2419 H   0  0  0  0  0  0
    2.1805    2.8186   -1.4601 H   0  0  0  0  0  0
    2.1844    3.4031    0.2212 H   0  0  0  0  0  0
    2.8729    4.4121   -1.0735 H   0  0  0  0  0  0
    4.2827    2.1658   -2.5346 H   0  0  0  0  0  0
    4.9751    3.7594   -2.1481 H   0  0  0  0  0  0
    5.8142    2.2761   -1.6343 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 26  1  0  0  0
  1 55  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  2 56  1  0  0  0
  3  4  1  0  0  0
  4 57  1  0  0  0
  4 58  1  0  0  0
  4 59  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5 60  1  0  0  0
  6 61  1  0  0  0
  6 62  1  0  0  0
  6 63  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  9 10  1  0  0  0
  9 64  1  0  0  0
 10 11  1  0  0  0
 10 19  1  0  0  0
 10 65  1  0  0  0
 11 12  1  0  0  0
 11 66  1  0  0  0
 11 67  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 68  1  0  0  0
 14 15  2  0  0  0
 14 69  1  0  0  0
 15 16  1  0  0  0
 15 70  1  0  0  0
 16 17  2  0  0  0
 16 71  1  0  0  0
 17 18  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 21 72  1  0  0  0
 22 23  1  0  0  0
 22 73  1  0  0  0
 22 74  1  0  0  0
 23 24  1  0  0  0
 23 25  1  0  0  0
 23 75  1  0  0  0
 24 25  1  0  0  0
 24 76  1  0  0  0
 24 77  1  0  0  0
 25 26  1  0  0  0
 25 78  1  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 29  1  0  0  0
 29 30  1  0  0  0
 29 79  1  0  0  0
 29 80  1  0  0  0
 30 31  1  0  0  0
 30 33  1  0  0  0
 30 81  1  0  0  0
 31 32  1  0  0  0
 32 82  1  0  0  0
 32 83  1  0  0  0
 32 84  1  0  0  0
 33 34  1  0  0  0
 33 38  1  0  0  0
 33 85  1  0  0  0
 34 35  1  0  0  0
 34 36  1  0  0  0
 34 86  1  0  0  0
 35 87  1  0  0  0
 35 88  1  0  0  0
 35 89  1  0  0  0
 36 37  1  0  0  0
 36 90  1  0  0  0
 36 91  1  0  0  0
 37 92  1  0  0  0
 37 93  1  0  0  0
 37 94  1  0  0  0
 38 39  1  0  0  0
 38 40  1  0  0  0
 39 95  1  0  0  0
 39 96  1  0  0  0
 39 97  1  0  0  0
 40 41  2  0  0  0
 40 42  1  0  0  0
 42 43  1  0  0  0
 42 52  1  0  0  0
 42 98  1  0  0  0
 43 44  1  0  0  0
 43 99  1  0  0  0
 44 45  2  0  0  0
 44 46  1  0  0  0
 46 47  1  0  0  0
 46 50  1  0  0  0
 46100  1  0  0  0
 47 48  1  0  0  0
 47 49  1  0  0  0
 47101  1  0  0  0
 48102  1  0  0  0
 48103  1  0  0  0
 48104  1  0  0  0
 49105  1  0  0  0
 49106  1  0  0  0
 49107  1  0  0  0
 50 51  1  0  0  0
 50108  1  0  0  0
 51109  1  0  0  0
 51110  1  0  0  0
 51111  1  0  0  0
 52 53  1  0  0  0
 52 54  1  0  0  0
 52112  1  0  0  0
 53113  1  0  0  0
 53114  1  0  0  0
 53115  1  0  0  0
 54116  1  0  0  0
 54117  1  0  0  0
 54118  1  0  0  0
M  END
> <s_m_entry_id>
41

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
