BUI18M
  -OEChem-04012114003D

 21 22  0     0  0  0  0  0  0999 V2000
    3.1880    1.3158    0.0126 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6551    0.0447    1.2190 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8488    0.2392   -0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -0.8381    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5822    0.1587   -0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4824    1.4660   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0916   -0.3939    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140   -2.2737    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2872    0.1166   -1.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3066    0.1204    1.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6754    0.0387   -1.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3060    0.0056    0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0328    2.4502   -0.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9963   -0.9860    0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307   -2.5197   -0.8914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2971   -2.9215    0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8143   -2.5169    0.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7700    0.1429   -2.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8168    0.1488    2.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2457    0.0045   -2.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3872   -0.0552    0.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END

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