H
 C   1   ch2
 H   2   hc3   1   hch3
 C   2   cc4   3   cch4   1   dih4
 H   2   hc5   4   hcc5   3   dih5
 O   4   oc6   2   occ6   1   dih6
 N   4   nc7   2   ncc7   1   dih7
 C   7   cn8   4   cnc8   2   dih8
 H   7   hn9   4   hnc9   2   dih9
 C   8   cc10   7   ccn10   4   dih10
 H   8   hc11   7   hcn11   4   dih11
 C   8   cc12   7   ccn12   4   dih12
 O   12   oc13   8   occ13   7   dih13
 N   12   nc14   8   ncc14   7   dih14
 C   14   cn15   12   cnc15   8   dih15
 H   14   hn16   12   hnc16   8   dih16
 H   15   hc17   14   hcn17   12   dih17
 H   15   hc18   14   hcn18   12   dih18
 H   15   hc19   14   hcn19   12   dih19
 H   10   hc20   8   hcc20   7   dih20
 H   10   hc21   8   hcc21   7   dih21
 H   10   hc22   8   hcc22   7   dih22

 ch2   1.09523602
 hc3   1.09351382
 hch3   107.27102808
 cc4   1.51506298
 cch4   109.02314347
 dih4   117.89802668
 hc5   1.09372887
 hcc5   113.57005095
 dih5   -121.87964781
 oc6   1.26129593
 occ6   120.74266594
 dih6   65.2069342
 nc7   1.36323503
 ncc7   116.35698811
 dih7   -114.50960039
 cn8   1.48439284
 cnc8   126.37178812
 dih8   174.3034969
 hn9   1.00938933
 hnc9   117.64521344
 dih9   -4.73332355
 cc10   1.54143382
 ccn10   112.27936763
 dih10   -56.26284008
 hc11   1.09234864
 hcn11   105.29553393
 dih11   -174.50235722
 cc12   1.54527471
 ccn12   114.18441611
 dih12   72.65502177
 oc13   1.25542212
 occ13   119.24275803
 dih13   123.57973475
 nc14   1.35883861
 ncc14   116.47383415
 dih14   -58.86964527
 cn15   1.45997221
 cnc15   122.08252427
 dih15   -178.45592995
 hn16   1.01981616
 hnc16   117.95844197
 dih16   3.78430068
 hc17   1.09120441
 hcn17   108.04819596
 dih17   1.00172462
 hc18   1.09624782
 hcn18   111.036957
 dih18   -118.66276859
 hc19   1.09595804
 hcn19   110.88847595
 dih19   120.53935075
 hc20   1.09523709
 hcc20   110.03616467
 dih20   -58.18764811
 hc21   1.09471419
 hcc21   109.39417993
 dih21   -177.23313248
 hc22   1.09139755
 hcc22   111.2789809
 dih22   62.3120678