
     RDKit          3D

 59 61  0  0  0  0  0  0  0  0999 V2000
    4.8261    1.2574    0.9003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5043    1.2367    0.4092 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4894    1.0096   -0.9923 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3629    2.3291   -1.7385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0594    3.0373   -1.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9097    2.0731   -0.9565 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6364    2.0288    0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8576    2.0547    0.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5384    0.9801    0.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9191    0.8136    0.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8219    1.6134   -0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3445    2.5711   -1.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9615    3.3394   -2.0549 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2010    1.4704   -0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6841    0.5319    0.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7932   -0.2778    1.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4122   -0.1497    1.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4893   -1.0362    2.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2584   -0.8487    3.2557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8585   -2.1192    1.3415 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6918   -3.2487    0.9182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4203   -2.0427    1.0309 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3297   -3.2069    1.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1838   -2.0068   -0.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1669   -1.9460   -1.2552 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1451   -2.0465   -1.0159 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3754   -2.8329   -2.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1982   -1.1500   -0.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2888    0.1176   -1.3930 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0149    0.7601   -1.4973 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7998    1.5345    1.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2888    0.2499    0.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4463    2.0130    0.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127    0.4904   -1.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2285    2.9877   -1.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3796    2.1305   -2.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2658    3.7781   -0.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7381    3.6352   -2.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0052    2.5178   -1.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750    1.1207    1.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1002    2.8975    1.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2916    3.0291    0.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9040    2.0833   -0.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7509    0.4232    0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1796   -1.0151    2.2084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1455   -3.7296    1.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0977   -4.0075    0.3707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5002   -2.8907    0.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138   -1.1027    1.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4263   -3.0610    1.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0743   -3.2566    2.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0675   -4.1739    1.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4462   -2.8137   -2.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0804   -3.8881   -2.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7744   -2.4195   -3.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1728   -1.6844   -0.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0228   -0.8809    0.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5233   -0.2409   -2.4210 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  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  3  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 29  3  1  0
 30  6  1  0
 17 10  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  3 34  1  6
  4 35  1  0
  4 36  1  0
  5 37  1  0
  5 38  1  0
  6 39  1  6
  7 40  1  0
  7 41  1  0
  8 42  1  0
  8 43  1  0
 14 44  1  0
 15 45  1  0
 16 46  1  0
 21 47  1  0
 21 48  1  0
 21 49  1  0
 22 50  1  1
 23 51  1  0
 23 52  1  0
 23 53  1  0
 27 54  1  0
 27 55  1  0
 27 56  1  0
 28 57  1  0
 28 58  1  0
 29 59  1  6
M  END
$$$$
