97
complexA_Bdan
Ru  1.1795  0.1929  1.1754
P  1.1585 -1.8180 -0.0788
P  1.3276  1.1462 -1.0073
C  0.3399 -0.0086 -2.0908
H -0.7039  0.1376 -1.8145
H  0.4285  0.2694 -3.1421
C  0.0817 -3.2104  0.4694
C -1.0905  0.2922  0.9574
C -0.6505  1.3795  1.4344
C  2.7981 -2.6848 -0.1698
C  0.7289 -1.4742 -1.8736
H  1.5895 -1.7470 -2.4847
H -0.0925 -2.1288 -2.1689
C -0.4965 -3.2059  1.7440
H -0.3883 -2.3335  2.3774
C  4.3262 -4.3866  0.6506
H  4.5215 -5.2237  1.3123
C  4.1618  1.3029 -1.1196
H  4.1346  1.2119 -0.0432
C  5.0397 -2.8787 -1.0835
H  5.7952 -2.5319 -1.7805
C  3.7982 -2.2481 -1.0496
H  3.6270 -1.4105 -1.7142
C  2.9702  1.2668 -1.8501
C  5.3090 -3.9485 -0.2331
H  6.2752 -4.4402 -0.2627
C -0.0893 -4.3355 -0.3526
H  0.3700 -4.3748 -1.3348
C  3.0808 -3.7627  0.6818
H  2.3236 -4.1406  1.3588
C  3.0362  1.3911 -3.2468
H  2.1309  1.4057 -3.8431
C -0.8340 -5.4239  0.0908
H -0.9621 -6.2862 -0.5546
C  5.3907  1.4506 -1.7624
H  6.3037  1.4821 -1.1774
C -1.2358 -4.3025  2.1893
H -1.6838 -4.2843  3.1768
C  2.2922 -0.9586  2.7901
H  2.3224 -2.0363  2.8389
C -1.4061 -5.4107  1.3641
H -1.9833 -6.2617  1.7086
C  4.2627  1.5249 -3.8900
H  4.2949  1.6162 -4.9703
C  3.2174 -0.1330  2.0633
H  4.0712 -0.4900  1.5090
C  5.4440  1.5554 -3.1491
H  6.3986  1.6677 -3.6517
C  1.3645 -0.1233  3.4513
H  0.5457 -0.4398  4.0799
C  1.7193  1.2331  3.1537
H  1.2189  2.1112  3.5288
C -0.7565  2.9767 -1.6411
H -1.4369  2.1346 -1.6213
C -0.9535  2.6661  2.0314
C  0.6123  2.8041 -1.3961
C -1.2691  4.2418 -1.9197
H -2.3287  4.3561 -2.1224
C  2.8663  1.2264  2.3189
H  3.3880  2.1034  1.9658
C -0.4289  5.3517 -1.9450
H -0.8311  6.3349 -2.1641
C  1.4508  3.9278 -1.4265
H  2.5168  3.8198 -1.2597
C  0.9325  5.1912 -1.6961
H  1.5968  6.0485 -1.7241
C -2.1537  2.7892  2.7597
H -2.7956  1.9232  2.8781
C -0.1219  3.7902  1.9145
H  0.8019  3.7141  1.3551
C -0.4863  5.0026  2.4895
H  0.1634  5.8644  2.3793
C -2.5082  4.0028  3.3388
H -3.4325  4.0776  3.9018
C -1.6780  5.1146  3.2048
H -1.9551  6.0598  3.6586
B -2.4109 -0.2167  0.3120
C -4.2347 -3.2296 -0.9671
C -3.9513 -1.9164 -0.6409
C -4.9120 -0.8936 -0.8992
C -6.1632 -1.2369 -1.4961
C -6.4140 -2.5964 -1.8189
C -5.4708 -3.5605 -1.5572
H -3.5039 -4.0063 -0.7638
C -4.6450  0.4669 -0.5631
C -7.1089 -0.2064 -1.7393
H -7.3631 -2.8628 -2.2720
H -5.6745 -4.5973 -1.8047
C -6.8245  1.0948 -1.4020
C -5.5927  1.4419 -0.8122
H -8.0607 -0.4624 -2.1925
H -7.5559  1.8745 -1.5885
H -5.3891  2.4759 -0.5486
N -3.4028  0.7660  0.0131
H -3.2567  1.7348  0.2556
N -2.7301 -1.5485 -0.0527
H -2.1127 -2.3115  0.1745
97
TS_Bdan
Ru  1.0049 -0.1912  1.0899
P  0.9360 -1.8822 -0.5330
P  2.2517  0.9495 -0.5284
C  1.6613  0.3049 -2.1767
H  0.6612  0.7193 -2.3275
H  2.2934  0.6578 -2.9944
C -0.6391 -2.7458 -0.9558
C -0.5090  1.0880  0.4787
C -1.0495  2.2069  0.3146
C  2.0290 -3.3358 -0.1537
C  1.6145 -1.2267 -2.1625
H  2.6162 -1.6359 -2.2984
H  1.0116 -1.5964 -2.9927
C -1.6759 -2.7788 -0.0182
H -1.5851 -2.2114  0.9011
C  2.3095 -5.5882  0.7109
H  1.8681 -6.4965  1.1073
C  4.8076 -0.0027  0.2885
H  4.2783 -0.5183  1.0776
C  4.2390 -4.3299  0.0158
H  5.3109 -4.2516 -0.1334
C  3.4186 -3.2553 -0.3187
H  3.8798 -2.3545 -0.7059
C  4.0946  0.7664 -0.6350
C  3.6875 -5.4998  0.5341
H  4.3266 -6.3370  0.7930
C -0.7732 -3.4865 -2.1390
H  0.0295 -3.5164 -2.8681
C  1.4855 -4.5176  0.3677
H  0.4138 -4.6183  0.4919
C  4.8039  1.4235 -1.6525
H  4.2842  2.0550 -2.3651
C -1.9263 -4.2276 -2.3808
H -2.0172 -4.7948 -3.3012
C  6.1950 -0.1204  0.1992
H  6.7325 -0.7171  0.9288
C -2.8259 -3.5297 -0.2561
H -3.6237 -3.5400  0.4780
C  0.9346 -1.6295  2.8583
H  0.5923 -2.6509  2.7845
C -2.9539 -4.2523 -1.4390
H -3.8512 -4.8313 -1.6281
C  6.1858  1.2990 -1.7472
H  6.7185  1.8132 -2.5400
C  2.2858 -1.1877  2.6807
H  3.1317 -1.8292  2.4878
C  6.8858  0.5269 -0.8201
H  7.9645  0.4376 -0.8906
C  0.1395 -0.5037  3.1786
H -0.9192 -0.5242  3.3889
C  0.9929  0.6531  3.2123
H  0.6931  1.6613  3.4548
C  1.7844  3.4455 -1.8490
H  1.6005  2.8884 -2.7607
C -1.6727  3.4867  0.2065
C  2.0814  2.7833 -0.6523
C  1.7250  4.8384 -1.8914
H  1.4969  5.3375 -2.8274
C  2.3116  0.2205  2.9181
H  3.1902  0.8485  2.8936
C  1.9635  5.5855 -0.7418
H  1.9215  6.6687 -0.7775
C  2.3125  3.5456  0.4999
H  2.5410  3.0512  1.4385
C  2.2575  4.9351  0.4556
H  2.4454  5.5109  1.3557
C -1.9652  4.2243  1.3702
H -1.7103  3.8124  2.3401
C -2.0051  4.0269 -1.0497
H -1.7850  3.4627 -1.9481
C -2.6145  5.2709 -1.1358
H -2.8729  5.6792 -2.1066
C -2.5690  5.4705  1.2749
H -2.7897  6.0339  2.1748
C -2.8969  5.9936  0.0238
H -3.3754  6.9645 -0.0475
B -2.1261  0.6074  0.2477
C -4.3653 -0.5768 -2.5053
C -3.9016 -0.2623 -1.2433
C -4.7304 -0.4744 -0.1003
C -6.0388 -1.0187 -0.2755
C -6.4779 -1.3309 -1.5891
C -5.6583 -1.1113 -2.6699
H -3.7316 -0.4144 -3.3723
C -4.2782 -0.1511  1.2148
C -6.8520 -1.2254  0.8704
H -7.4726 -1.7413 -1.7269
H -6.0053 -1.3497 -3.6699
C -6.3878 -0.9064  2.1233
C -5.0977 -0.3686  2.3054
H -7.8478 -1.6359  0.7407
H -7.0183 -1.0654  2.9918
H -4.7514 -0.1178  3.3040
N -2.9909  0.3942  1.3500
H -2.7343  0.6896  2.2794
N -2.6234  0.2787 -1.0358
H -2.0627  0.4061 -1.8643
97
complexB_Bdan
Ru  1.1990 -0.1658  1.1336
P  0.8135 -1.9266 -0.3789
P  2.3574  0.7759 -0.6784
C  1.4867  0.1243 -2.1879
H  0.4953  0.5809 -2.2022
H  2.0084  0.4212 -3.1001
C -0.8995 -2.5634 -0.5741
C -0.2437  0.9026  0.6141
C -1.2639  1.7068  0.4269
C  1.7570 -3.4786 -0.0264
C  1.3678 -1.3992 -2.0926
H  2.3300 -1.8694 -2.2986
H  0.6642 -1.7786 -2.8344
C -1.8715 -2.2993  0.3947
H -1.6379 -1.6475  1.2279
C  1.8444 -5.6842  0.9837
H  1.3440 -6.4909  1.5085
C  4.8397 -0.5009 -0.1031
H  4.3526 -0.9024  0.7753
C  3.8122 -4.7689 -0.0589
H  4.8530 -4.8592 -0.3514
C  3.1077 -3.6100 -0.3764
H  3.6281 -2.8147 -0.8962
C  4.1256  0.3233 -0.9763
C  3.1840 -5.8083  0.6237
H  3.7333 -6.7109  0.8681
C -1.2178 -3.4103 -1.6467
H -0.4720 -3.6639 -2.3930
C  1.1339 -4.5304  0.6600
H  0.0855 -4.4642  0.9265
C  4.7760  0.8295 -2.1133
H  4.2553  1.4979 -2.7909
C -2.4905 -3.9609 -1.7530
H -2.7279 -4.6080 -2.5905
C  6.1749 -0.8181 -0.3563
H  6.7180 -1.4529  0.3358
C -3.1433 -2.8618  0.2921
H -3.8920 -2.6416  1.0444
C  1.1199 -1.4981  3.0048
H  0.6242 -2.4572  3.0247
C -3.4550 -3.6882 -0.7832
H -4.4479 -4.1151 -0.8694
C  6.1033  0.5045 -2.3703
H  6.5927  0.9024 -3.2528
C  2.5051 -1.2801  2.7109
H  3.2250 -2.0490  2.4751
C  6.8069 -0.3192 -1.4908
H  7.8448 -0.5639 -1.6886
C  0.5337 -0.2476  3.3366
H -0.4931 -0.0835  3.6265
C  1.5428  0.7551  3.2255
H  1.4238  1.8049  3.4446
C  1.5669  3.2911 -1.7526
H  0.8284  2.7636 -2.3440
C -1.2356  3.1953  0.5754
C  2.4146  2.6018 -0.8792
C  1.6603  4.6761 -1.8767
H  0.9980  5.1981 -2.5585
C  2.7568  0.1100  2.8435
H  3.7099  0.6001  2.7082
C  2.5928  5.3860 -1.1272
H  2.6637  6.4636 -1.2268
C  3.3494  3.3255 -0.1252
H  4.0297  2.8085  0.5443
C  3.4368  4.7078 -0.2485
H  4.1700  5.2547  0.3347
C -0.2592  3.8461  1.3448
H  0.5155  3.2626  1.8276
C -2.2273  3.9773 -0.0362
H -2.9967  3.5037 -0.6368
C -2.2408  5.3614  0.1167
H -3.0212  5.9440 -0.3616
C -0.2749  5.2277  1.4965
H  0.4879  5.7088  2.1000
C -1.2671  5.9935  0.8854
H -1.2840  7.0705  1.0130
B -2.6778  1.0303  0.1319
C -4.7614 -0.1622 -2.7442
C -4.3742  0.1653 -1.4590
C -5.2839 -0.0012 -0.3718
C -6.5932 -0.5137 -0.6253
C -6.9510 -0.8424 -1.9594
C -6.0545 -0.6667 -2.9859
H -4.0683 -0.0288 -3.5700
C -4.9109  0.3386  0.9639
C -7.4877 -0.6723  0.4659
H -7.9458 -1.2275 -2.1571
H -6.3405 -0.9148 -4.0029
C -7.1002 -0.3361  1.7405
C -5.8106  0.1702  1.9996
H -8.4841 -1.0576  0.2771
H -7.7933 -0.4557  2.5667
H -5.5263  0.4370  3.0135
N -3.6160  0.8354  1.1767
H -3.4092  1.1323  2.1187
N -3.0953  0.6692 -1.1730
H -2.4855  0.7876 -1.9673
94
complexA_BMIDA
Ru -0.3690 -0.2079  1.1117
P -1.4164  1.4790 -0.2272
P -1.0079 -1.5617 -0.7346
C -0.8444 -0.4469 -2.2153
H  0.2226 -0.2584 -2.3285
H -1.1891 -0.9361 -3.1281
C -0.7524  3.1928 -0.2873
C  1.6337  0.2783  0.1090
C  1.7798 -0.7879  0.7577
C -3.1725  1.8329  0.2716
C -1.5546  0.8934 -2.0042
H -2.6102  0.8285 -2.2679
H -1.0999  1.6492 -2.6443
C -1.1933  4.0757 -1.2847
H -1.8711  3.7396 -2.0620
C -4.7601  3.1819  1.5233
H -4.9575  4.0353  2.1632
C -3.5438 -2.3861  0.2736
H -3.1924 -2.0555  1.2399
C -5.5380  1.2807  0.2713
H -6.3451  0.6408 -0.0694
C -4.2332  1.0144 -0.1386
H -4.0597  0.1596 -0.7795
C -2.7316 -2.2330 -0.8535
C -5.8061  2.3627  1.1061
H -6.8227  2.5709  1.4217
C  0.0954  3.6670  0.7141
H  0.4661  2.9921  1.4748
C -3.4560  2.9229  1.1078
H -2.6646  3.5961  1.4159
C -3.2211 -2.6673 -2.0954
H -2.6065 -2.5965 -2.9858
C  0.5054  5.0001  0.7210
H  1.1812  5.3482  1.4943
C -4.8142 -2.9520  0.1684
H -5.4273 -3.0656  1.0561
C -0.7778  5.4018 -1.2807
H -1.1188  6.0738 -2.0609
C -1.1007  0.9114  2.9527
H -1.3911  1.9506  2.9438
C  0.0708  5.8675 -0.2749
H  0.3929  6.9034 -0.2734
C -4.4936 -3.2188 -2.2038
H -4.8566 -3.5444 -3.1728
C -1.9712 -0.2002  2.6786
H -3.0264 -0.1285  2.4665
C  0.1821  0.4101  3.2587
H  1.0558  0.9957  3.5027
C  0.1140 -1.0237  3.2017
H  0.9239 -1.7042  3.4112
C  0.9609 -3.0521 -2.1758
H  1.2273 -2.1288 -2.6753
C  2.6526 -1.7470  1.4131
C -0.0657 -3.0767 -1.2246
C  1.6410 -4.2208 -2.5168
H  2.4237 -4.1874 -3.2676
C -1.2118 -1.3944  2.8682
H -1.5752 -2.4083  2.7928
C  1.3095 -5.4287 -1.9094
H  1.8352 -6.3378 -2.1805
C -0.3949 -4.3006 -0.6233
H -1.2011 -4.3526  0.1005
C  0.2875 -5.4654 -0.9615
H  0.0126 -6.4041 -0.4924
C  3.6537 -1.2441  2.2691
H  3.7165 -0.1750  2.4442
C  2.5634 -3.1353  1.2320
H  1.8005 -3.5448  0.5852
C  3.4567 -3.9887  1.8733
H  3.3765 -5.0590  1.7150
C  4.5411 -2.1040  2.9091
H  5.3014 -1.6973  3.5675
C  4.4472 -3.4807  2.7122
H  5.1368 -4.1517  3.2126
O  2.7599  2.5485  0.0897
O  1.5912  1.7919 -1.9341
C  4.0601  2.5774  0.3991
C  2.3608  2.0871 -2.9913
C  4.8052  1.4839 -0.3745
H  5.0391  0.6621  0.3045
H  5.7358  1.8526 -0.8056
C  3.8328  1.8781 -2.6282
H  4.3908  1.4313 -3.4499
H  4.2740  2.8493 -2.3985
O  4.5738  3.3271  1.1765
O  1.9582  2.4483 -4.0568
N  3.8475  1.0066 -1.4075
C  4.0562 -0.4163 -1.7836
H  3.3044 -0.7065 -2.5160
H  5.0491 -0.5421 -2.2194
H  3.9553 -1.0462 -0.9043
B  2.3213  1.4125 -0.7342
C -5.2940 -3.3643 -1.0709
H -6.2829 -3.8017 -1.1556
94
TS_BMIDA
Ru -0.7800  0.0872 -1.0781
P -1.5471 -1.5639  0.3966
P -1.4103  1.5664  0.5975
C -1.6661  0.6617  2.2103
H -0.7094  0.6850  2.7255
H -2.3759  1.2019  2.8401
C -0.5138 -3.0265  0.8392
C  1.2313  0.1440 -0.6454
C  2.3843  0.3813 -1.0663
C -3.1040 -2.3960 -0.1922
C -2.1056 -0.7973  2.0289
H -3.1920 -0.8900  2.0604
H -1.7136 -1.3906  2.8547
C -0.7516 -3.7804  1.9970
H -1.5255 -3.4907  2.6988
C -4.3132 -4.3385 -1.0060
H -4.3195 -5.3936 -1.2588
C -3.0170  3.6485 -0.4543
H -2.0932  4.0502 -0.8563
C -5.4471 -2.2249 -0.8178
H -6.3431 -1.6222 -0.9261
C -4.2741 -1.6387 -0.3519
H -4.2760 -0.5789 -0.1226
C -2.9990  2.4864  0.3294
C -5.4703 -3.5794 -1.1477
H -6.3837 -4.0370 -1.5123
C  0.4663 -3.4589 -0.0579
H  0.6648 -2.8788 -0.9521
C -3.1386 -3.7541 -0.5307
H -2.2540 -4.3683 -0.4182
C -4.2078  2.0279  0.8683
H -4.2340  1.1470  1.4991
C  1.2015 -4.6156  0.1959
H  1.9681 -4.9311 -0.5035
C -4.2090  4.3249 -0.6989
H -4.2000  5.2278 -1.3004
C -0.0110 -4.9303  2.2546
H -0.2032 -5.5017  3.1566
C -1.7022 -0.9390 -2.8892
H -2.1255 -1.9309 -2.8385
C  0.9667 -5.3513  1.3535
H  1.5417 -6.2489  1.5549
C -5.4012  2.7064  0.6242
H -6.3249  2.3398  1.0596
C -2.4084  0.2782 -2.6400
H -3.4601  0.3707 -2.4192
C -0.3582 -0.6237 -3.2115
H  0.4188 -1.3275 -3.4685
C -0.2303  0.8087 -3.1838
H  0.6668  1.3676 -3.4059
C -0.2714  3.5271  2.3307
H -0.9046  3.1246  3.1134
C  3.6039  0.4878 -1.8144
C -0.2803  2.9635  1.0468
C  0.5372  4.6256  2.6171
H  0.5301  5.0520  3.6147
C -1.4898  1.3570 -2.8473
H -1.7283  2.4072 -2.7750
C  1.3325  5.1905  1.6206
H  1.9448  6.0588  1.8400
C  0.5337  3.5294  0.0583
H  0.5476  3.0909 -0.9332
C  1.3259  4.6423  0.3394
H  1.9325  5.0856 -0.4442
C  4.2185 -0.6645 -2.3443
H  3.7831 -1.6371 -2.1507
C  4.1672  1.7492 -2.0941
H  3.6819  2.6450 -1.7216
C  5.3140  1.8514 -2.8727
H  5.7307  2.8278 -3.0942
C  5.3746 -0.5538 -3.1077
H  5.8425 -1.4478 -3.5046
C  5.9246  0.7006 -3.3723
H  6.8224  0.7823 -3.9752
O  3.0063 -1.7096  0.5357
O  1.2706 -0.5687  1.8168
C  4.3408 -1.6933  0.7320
C  1.6887 -0.3706  3.0769
C  4.7742 -0.3100  1.2249
H  5.2090  0.2427  0.3926
H  5.5115 -0.3756  2.0240
C  3.1702 -0.0311  3.0797
H  3.4008  0.7675  3.7828
H  3.7283 -0.9220  3.3727
O  5.0731 -2.6115  0.5267
O  0.9919 -0.4480  4.0452
N  3.5175  0.3567  1.6699
C  3.5455  1.8424  1.5470
H  2.5763  2.2472  1.8318
H  4.3209  2.2462  2.1998
H  3.7537  2.1154  0.5187
B  2.2989 -0.4851  0.8089
C -5.4064  3.8538 -0.1637
H -6.3341  4.3837 -0.3508
94
complexB_BMIDA
Ru -0.8056 -0.1428  1.1656
P -1.3456  1.6641 -0.2648
P -1.4668 -1.4574 -0.6567
C -1.1059 -0.4370 -2.1662
H -0.0210 -0.4693 -2.2636
H -1.5194 -0.8789 -3.0744
C -0.2031  3.0947 -0.3695
C  0.9616 -0.2759  0.6070
C  2.2605 -0.3258  0.4231
C -2.9671  2.4560  0.1406
C -1.5590  1.0214 -2.0182
H -2.6102  1.1420 -2.2835
H -0.9742  1.6473 -2.6935
C -0.3619  4.0423 -1.3913
H -1.1412  3.9274 -2.1374
C -4.2510  4.3025  1.0507
H -4.2786  5.3010  1.4737
C -3.8067 -2.7138  0.2504
H -3.1988 -3.0157  1.0963
C -5.3836  2.3108  0.3096
H -6.2986  1.7489  0.1542
C -4.1615  1.7432 -0.0390
H -4.1513  0.7390 -0.4471
C -3.2485 -1.9372 -0.7749
C -5.4322  3.5922  0.8563
H -6.3851  4.0334  1.1278
C  0.7970  3.2821  0.5867
H  0.9403  2.5451  1.3670
C -3.0249  3.7409  0.6963
H -2.1178  4.3138  0.8451
C -4.0532 -1.5903 -1.8668
H -3.6564 -1.0032 -2.6866
C  1.6325  4.3960  0.5231
H  2.4191  4.5205  1.2588
C -5.1334 -3.1268  0.1885
H -5.5459 -3.7342  0.9870
C  0.4744  5.1515 -1.4533
H  0.3469  5.8763 -2.2503
C -1.8717  0.8562  2.9799
H -2.3716  1.8103  2.9001
C  1.4727  5.3304 -0.4953
H  2.1263  6.1946 -0.5475
C -5.3854 -2.0004 -1.9254
H -5.9937 -1.7233 -2.7798
C -2.4742 -0.4070  2.7662
H -3.5095 -0.5862  2.5201
C -0.4963  0.6628  3.3142
H  0.2115  1.4327  3.5802
C -0.2538 -0.7430  3.3201
H  0.6854 -1.2223  3.5534
C -0.6565 -3.6520 -2.2565
H -1.1189 -3.1365 -3.0910
C  3.1176 -1.0585  1.4248
C -0.6383 -3.0735 -0.9792
C -0.0970 -4.9089 -2.4694
H -0.1172 -5.3447 -3.4627
C -1.4628 -1.4050  2.9643
H -1.6085 -2.4743  2.9324
C  0.4705 -5.6128 -1.4080
H  0.8929 -6.5981 -1.5732
C -0.0620 -3.7848  0.0774
H -0.0359 -3.3451  1.0677
C  0.4832 -5.0506 -0.1342
H  0.9158 -5.5971  0.6975
C  3.9549 -0.3332  2.2863
H  3.9661  0.7494  2.2376
C  3.1038 -2.4563  1.5241
H  2.4643 -3.0301  0.8633
C  3.9079 -3.1122  2.4562
H  3.8848 -4.1956  2.5177
C  4.7612 -0.9927  3.2126
H  5.4021 -0.4142  3.8698
C  4.7411 -2.3835  3.3018
H  5.3684 -2.8937  4.0246
O  3.7498  1.6843 -0.2083
O  1.9096  1.0410 -1.6923
C  5.0711  1.5391 -0.3783
C  2.3220  1.0453 -2.9607
C  5.3539  0.2441 -1.1469
H  5.6691 -0.5219 -0.4366
H  6.1363  0.3730 -1.8943
C  3.7745  0.5735 -3.0330
H  3.9484 -0.0642 -3.8984
H  4.4200  1.4499 -3.1146
O  5.9092  2.2878  0.0276
O  1.6499  1.3590 -3.9021
N  4.0494 -0.1492 -1.7478
C  3.8996 -1.6181 -1.9304
H  2.8978 -1.8352 -2.2992
H  4.6383 -1.9799 -2.6477
H  4.0389 -2.1160 -0.9748
B  2.9063  0.5998 -0.7179
C -5.9288 -2.7667 -0.8989
H -6.9633 -3.0887 -0.9477