
     RDKit          3D

 72 77  0  0  0  0  0  0  0  0999 V2000
    0.6811   -3.4197    0.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862   -1.9899    0.6756 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793   -1.5299    1.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8650   -0.4108    0.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5888    0.9144    0.7606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0107    1.9950   -0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7830    1.7618   -1.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1043    0.4595   -1.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445   -0.6401   -0.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1441   -2.2580   -1.3186 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.6555   -2.1896   -2.7322 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9773   -3.2005   -1.2986 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4271   -2.8606   -0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5096   -3.7027   -0.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7994   -2.2626   -0.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6524    3.3309    0.3586 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0602    4.2719   -0.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1375    5.5035   -0.2968 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2398    3.8193   -1.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2683    3.9294   -1.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6895    3.2581   -0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2612    4.0192    0.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6444    3.4118    2.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4626    2.0409    2.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9026    1.2487    1.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5082    1.8751    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6879   -0.2336    1.4962 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9154   -0.8738    1.9934 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1855   -0.9770    1.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2008   -1.7471    1.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4527   -1.8686    1.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7294   -1.2132    0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9868   -1.2990   -0.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0874   -2.0552   -0.0640 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1722   -0.6381   -1.7610 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2025    0.1103   -2.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9544    0.2302   -1.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9991    0.9875   -2.3384 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7061   -0.4318   -0.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4505   -0.3210    0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0838   -1.0724    0.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6210   -1.1025   -0.7502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1856   -3.6562    1.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5398   -4.0433    0.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4261   -3.6881   -0.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0008   -2.3670    1.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1403   -1.1911    2.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080    1.1115    1.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1387    2.5926   -1.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7182    0.3142   -2.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2055   -3.0928    0.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9763   -4.4535   -0.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4235   -3.8629   -1.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4358   -2.1636    0.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8760   -1.5633   -1.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7504    3.6081    1.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4765    2.7755   -2.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4941    4.4532   -2.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8198    3.4612   -2.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5499    5.0055   -1.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4062    5.0859    0.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0785    4.0069    2.8435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7548    1.5940    3.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0480    1.3060   -0.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0416   -0.2520    2.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8360   -1.3417    2.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0214   -2.2611    2.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1821   -2.4801    1.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9832   -2.0879   -0.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0618   -2.5756    0.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4042    0.6155   -3.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6932    0.2803   -0.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
  6 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 37 39  1  0
 39 40  2  0
 27 41  1  0
 41 42  2  0
 41  2  1  0
  9  4  2  0
 15 13  1  0
 26 21  2  0
 40 29  1  0
 39 32  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  3 46  1  0
  3 47  1  0
  5 48  1  0
  7 49  1  0
  8 50  1  0
 13 51  1  0
 14 52  1  0
 14 53  1  0
 15 54  1  0
 15 55  1  0
 16 56  1  0
 19 57  1  0
 19 58  1  0
 20 59  1  0
 20 60  1  0
 22 61  1  0
 23 62  1  0
 24 63  1  0
 26 64  1  0
 27 65  1  1
 28 66  1  0
 30 67  1  0
 31 68  1  0
 34 69  1  0
 34 70  1  0
 36 71  1  0
 40 72  1  0
M  END
$$$$
