
     RDKit          3D

 78 82  0  0  0  0  0  0  0  0999 V2000
    0.2406    3.1463   -2.0512 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3262    2.0999   -1.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6108    1.4914   -1.1349 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8519    2.2738   -1.1253 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8805    1.6497   -2.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8445    0.3803   -2.4770 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9112    0.2308   -3.2468 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5604    1.4115   -3.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8086    1.6992   -3.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4786    2.7691   -3.4320 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6347    0.5935   -3.9786 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4810    2.0029   -5.3072 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9327    2.2876   -2.4844 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3871    2.4630    0.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764    1.1568    1.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4978    0.7169    1.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417   -0.5503    2.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7532   -0.9254    3.6032 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7441   -1.7879    3.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8501   -3.1582    3.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1593   -4.0267    2.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2678   -3.5326    2.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3768   -2.1597    2.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3805   -1.2879    2.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -1.6308    1.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5534   -1.8423   -0.2638 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9110   -3.1056   -0.6490 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5288   -3.2757   -1.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3169   -4.7939   -1.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6881   -5.4693   -1.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5726   -4.3561   -0.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8055   -4.4909   -0.4567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9971   -0.6771   -1.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4499   -0.4558   -2.2088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9033    0.1101   -0.5708 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9224    1.5727   -0.6912 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1147    2.2125    0.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8691    3.5507    0.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3092    3.3608    0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2088    2.6935    1.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5201    2.4510    0.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9455    2.8736   -0.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0592    3.5384   -1.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7457    3.7853   -1.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6661    0.4781   -0.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6601    3.2907   -1.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6799    3.1001    0.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3291    3.0485    0.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5453    1.3426    1.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9677    0.3390    0.3936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2484    1.5245    2.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6033    0.5233    1.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7261   -0.3519    3.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0948   -1.3840    2.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7101   -3.5480    3.9514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0838   -5.0841    3.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0470   -4.2197    2.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4747   -0.2226    2.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4801   -2.1503    1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7482   -0.5583    1.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6219   -1.9031   -0.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3770   -2.7646   -2.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1707   -2.8624   -0.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3773   -5.1650   -0.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1197   -5.0248   -2.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6669   -6.2395   -0.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0314   -5.9137   -2.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967   -0.3477    0.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7775    1.8558   -1.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1290    2.3688    1.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6785    1.5219    1.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8474    4.0087    1.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    4.2532   -0.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8905    2.3541    2.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2032    1.9159    1.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9621    2.6756   -0.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3876    3.8574   -2.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0677    4.2865   -1.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  9 11  1  0
  9 12  1  0
  8 13  1  0
  4 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 26 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 36  2  1  0
 44 39  1  0
 13  5  1  0
 24 19  2  0
 31 27  1  0
  3 45  1  0
  4 46  1  6
 14 47  1  0
 14 48  1  0
 15 49  1  0
 15 50  1  0
 16 51  1  0
 16 52  1  0
 17 53  1  0
 17 54  1  0
 20 55  1  0
 21 56  1  0
 22 57  1  0
 24 58  1  0
 25 59  1  0
 25 60  1  0
 26 61  1  6
 28 62  1  0
 28 63  1  0
 29 64  1  0
 29 65  1  0
 30 66  1  0
 30 67  1  0
 35 68  1  0
 36 69  1  6
 37 70  1  0
 37 71  1  0
 38 72  1  0
 38 73  1  0
 40 74  1  0
 41 75  1  0
 42 76  1  0
 43 77  1  0
 44 78  1  0
M  END
$$$$
