Remark line goes here MASS BOND ANGLE c3-c2-cl 63.710 115.330 same as br-c2-c3, penalty score= 1.3 DIHE c3-c3-cx-cx 1 0.180 0.000 -3.000 same as c3-c3-c3-c3 c3-c3-cx-cx 1 0.250 180.000 -2.000 same as c3-c3-c3-c3 c3-c3-cx-cx 1 0.200 180.000 1.000 same as c3-c3-c3-c3, penalty score=179.0 c3-c3-cx-h1 1 0.160 0.000 3.000 same as hc-c3-c3-c3, penalty score=179.0 c3-c3-cx-os 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 92.0 c3-cx-os-cx 1 0.383 0.000 -3.000 same as c3-c3-os-c3 c3-cx-os-cx 1 0.100 180.000 2.000 same as c3-c3-os-c3, penalty score=179.0 hc-c3-cx-cx 1 0.160 0.000 3.000 same as hc-c3-c3-c3, penalty score=179.0 hc-c3-cx-h1 1 0.150 0.000 3.000 same as hc-c3-c3-hc, penalty score=179.0 hc-c3-cx-os 1 0.000 0.000 -3.000 same as hc-c3-c3-os hc-c3-cx-os 1 0.250 0.000 1.000 same as hc-c3-c3-os, penalty score= 92.0 cx-cx-os-cx 1 0.383 0.000 -3.000 same as c3-c3-os-c3 cx-cx-os-cx 1 0.100 180.000 2.000 same as c3-c3-os-c3, penalty score=266.0 h1-cx-os-cx 3 1.150 0.000 3.000 same as X -c3-os-X , penalty score= 92.0 IMPROPER c2-c3-c2-cl 1.1 180.0 2.0 Using the default value NONBON