methanol for compass from david at accelrys
3.885679583    0.656627250   -8.424467283 c4o     C   0.001
3.825948769    1.695271615   -8.074693836 h1      H   0.053
3.365162009    0.582682775   -9.394534597 h1      H   0.053
3.379610623    0.008917560   -7.688418725 h1      H   0.053
5.260310973    0.337051867   -8.543473123 o2h     O  -0.580
5.306500476   -0.563325617   -8.846176523 h1o     H   0.420