BAGL94
  -OEChem-04022106503D

 56 57  0     1  0  0  0  0  0999 V2000
    1.0418    3.3900    0.1999 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9611    3.4140   -0.2530 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6827    2.6616    0.7861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6248    2.7449   -0.8017 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4419    3.2914   -1.3785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3586    3.3948    1.3541 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9128    0.7623    0.6957 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8944    0.8103   -0.6984 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0115    1.5323   -0.5190 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9700    1.5963    0.5077 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6617    2.1236   -0.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6060    2.1641    0.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5644   -1.1486    2.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5945   -0.5898    0.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1034    2.5860   -0.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0402    2.6715    0.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2658   -0.9072    3.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2963   -0.9422   -3.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9477   -3.0670    2.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0183   -3.0772   -2.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9298   -1.5027   -3.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2918   -3.5975    2.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2078   -3.6377   -2.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2524   -2.7829    3.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1818   -2.8504   -3.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3361    0.8390   -1.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3044    0.9193    1.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9285    1.3121   -1.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7502    2.5813   -1.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8873    1.3402    0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6775    2.6382    1.8929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0619    1.2484    1.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0383    1.2892   -1.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3366   -1.9265    2.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617   -0.3934    2.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3824   -1.8862   -2.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8796   -0.3714   -2.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    0.1433    3.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4796    0.1101   -3.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6867   -3.7112    1.7879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7679   -3.7003   -1.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7227   -0.8027    3.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6893   -0.8888   -3.9284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5096   -4.6445    2.4245 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4050   -4.6867   -2.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2182   -3.1954    3.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1373   -3.2862   -3.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3883    3.3423    0.8162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3163    3.4398   -0.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
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  3 17  2  0  0  0  0
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  5 55  1  0  0  0  0
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M  END

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