     66
Step 1
  O      -5.8538350     -2.7916090     -0.5092560
  O      -8.4077950      1.0146100     -0.0887750
  O       7.0181490     -1.4407380     -0.2348750
  O       7.7435850      0.6942850      0.3024410
  B       6.6652810     -0.1309160      0.0361020
  N      -7.1265060     -0.8795550     -0.3421880
  N      -1.1270890      1.5526730     -0.0028700
  H      -1.1914270      2.5655350      0.1396860
  N       0.0920680      0.9786540     -0.0446080
  C     -10.1182860     -3.0045650      0.8357500
  H     -10.9390530     -2.4324240      0.3707570
  H      -9.9491930     -3.9058680      0.2223750
  H     -10.4637690     -3.3364990      1.8277260
  C      -8.8446850     -2.1605400      0.9472210
  H      -8.0423190     -2.7447760      1.4302490
  H      -9.0308670     -1.2715580      1.5743810
  C      -8.3501410     -1.6947550     -0.4290550
  H      -9.1131900     -1.0716390     -0.9191230
  H      -8.1076190     -2.5614150     -1.0615990
  C      -5.8853180     -1.5608630     -0.3909400
  C      -4.6722070     -0.7261650     -0.2963220
  C      -3.4155410     -1.3330760     -0.3539940
  H      -3.3763490     -2.4194510     -0.4719140
  C      -2.2379980     -0.5819950     -0.2607040
  H      -1.2597610     -1.0623450     -0.3027350
  C      -2.2914710      0.8117470     -0.1045760
  C      -3.5683080      1.4882230     -0.0463980
  C      -3.7216030      2.8937390      0.0992040
  H      -2.8475540      3.5505890      0.1648930
  C      -4.9797270      3.4838700      0.1569050
  H      -5.0656950      4.5680920      0.2686870
  C      -6.1420200      2.6916820      0.0718340
  H      -7.1427010      3.1294190      0.1186890
  C      -6.0350800      1.3121210     -0.0782250
  C      -7.2831330      0.5054640     -0.1643170
  C      -4.7581780      0.6845840     -0.1418910
  C       1.1221620      1.7640730      0.0921240
  H       0.9901750      2.8551430      0.2386000
  C       2.4899230      1.2644520      0.0667430
  C       2.7898590     -0.1061460     -0.1260890
  H       1.9662730     -0.8115410     -0.2646350
  C       4.1141500     -0.5382260     -0.1357770
  H       4.3357340     -1.5999270     -0.2837800
  C       5.1892100      0.3662770      0.0435960
  C       4.8801740      1.7312860      0.2322620
  H       5.6960120      2.4475350      0.3712110
  C       3.5564290      2.1759070      0.2441810
  H       3.3344700      3.2386500      0.3930070
  C       8.4427810     -1.5660510      0.0840660
  C       8.5220350     -2.1316490      1.5097530
  H       8.0718110     -1.4392910      2.2386680
  H       7.9626340     -3.0790570      1.5491000
  H       9.5627980     -2.3308440      1.8115440
  C       8.9488120     -0.0722750     -0.0235560
  C      10.0473860      0.3111100      0.9671350
  H      10.3126030      1.3717480      0.8345510
  H       9.7235410      0.1687850      2.0078350
  H      10.9552920     -0.2904410      0.7954120
  C       9.0766360     -2.5377640     -0.9105920
  H      10.1628570     -2.6186540     -0.7392960
  H       8.6370680     -3.5391900     -0.7809390
  H       8.9070230     -2.2236730     -1.9502780
  C       9.3511720      0.3288980     -1.4502260
  H      10.2943260     -0.1517840     -1.7551760
  H       8.5684090      0.0580680     -2.1763010
  H       9.4897190      1.4204080     -1.4893850
