propyne
     7
  -0.5940000   3.0240000  -0.9300000  -0.6480000   1.8280000  -0.8450000
  -0.7150000   0.3700000  -0.7410000  -0.5460000   4.0850000  -1.0060000
   0.2430000  -0.0840000  -1.0130000  -0.9580000   0.0640000   0.2810000
  -1.4830000  -0.0330000  -1.4070000