114
	Energy: -1687809.7107018
Ti        -0.01061        0.23547        0.60148
N          1.67912       -0.24552       -0.39560
C          1.42345        0.03771       -1.68130
C          0.12123       -0.07328       -2.19773
C         -1.08321       -0.68943       -1.76330
N         -1.27817       -0.94661       -0.47651
C          2.96163       -0.54753        0.16015
C          3.50789       -1.82920       -0.02785
C          4.73823       -2.12182        0.55162
C          5.41518       -1.19358        1.31743
C          4.85723        0.05572        1.51117
C          3.63857        0.40686        0.94380
C          3.12498        1.81204        1.17442
C          4.10956        2.89116        0.72401
C          2.76408        2.03604        2.64038
C          2.81124       -2.92266       -0.81146
C          3.58369       -3.33711       -2.06302
C          2.57787       -4.14654        0.07086
C          2.44199        0.62597       -2.69970
C          3.92285        0.52945       -2.33192
C          2.09972        2.12158       -2.82183
C          2.29634       -0.03713       -4.07805
C         -2.07934       -0.94324       -2.93005
C         -1.35632       -1.71603       -4.04540
C         -2.53455        0.42407       -3.46850
C         -3.34586       -1.73982       -2.61249
C         -2.39873       -1.62811        0.10164
C         -3.52825       -0.88886        0.50311
C         -4.59593       -1.56631        1.07907
C         -4.57275       -2.93565        1.25736
C         -3.44471       -3.64130        0.89038
C         -2.33530       -3.01142        0.33552
C         -1.11901       -3.86066        0.02500
C         -1.36625       -4.81150       -1.14619
C         -0.68459       -4.65882        1.25438
C         -3.63640        0.61582        0.36173
C         -3.51643        1.28565        1.73003
C         -4.92717        1.06340       -0.32272
C         -0.02209       -0.39988        2.29252
C         -0.21166       -0.60373        3.76802
C          1.02906       -1.27273        4.37165
C         -1.42843       -1.50643        4.01408
C         -0.45262        0.73874        4.46194
O         -0.50514        2.11554        0.42354
S         -0.42958        3.60814        0.62704
O         -1.13452        4.02490        1.79589
O          0.88638        4.10817        0.36889
C         -1.44839        4.17724       -0.80787
F         -1.47437        5.49976       -0.82795
F         -0.93398        3.74134       -1.95382
F         -2.69565        3.72648       -0.71332
H          0.04251        0.30689       -3.19922
H          5.17060       -3.10412        0.40271
H          6.36992       -1.44305        1.76394
H          5.38455        0.78701        2.11163
H          2.22023        1.95088        0.58037
H          5.02158        2.87005        1.32452
H          3.64858        3.87228        0.84549
H          4.39849        2.78655       -0.32221
H          2.33288        3.02966        2.77529
H          3.65144        1.96314        3.27386
H          2.04143        1.29504        2.97843
H          1.83616       -2.54640       -1.12599
H          3.04603       -4.12485       -2.59583
H          3.73091       -2.50709       -2.75347
H          4.56949       -3.72906       -1.80253
H          3.52329       -4.61216        0.35610
H          2.04975       -3.88278        0.98666
H          1.99208       -4.89649       -0.46493
H          4.27668       -0.49589       -2.24973
H          4.16701        1.03915       -1.40695
H          4.48940        1.01227       -3.13111
H          2.20579        2.63822       -1.86659
H          2.78286        2.58807       -3.53537
H          1.08107        2.28177       -3.17431
H          3.10861        0.30673       -4.72085
H          2.35914       -1.12433       -4.01186
H          1.36678        0.21791       -4.58524
H         -1.00209       -2.68399       -3.68626
H         -0.50214       -1.18131       -4.45444
H         -2.05788       -1.89854       -4.86181
H         -1.71202        1.03070       -3.84577
H         -3.23346        0.26419       -4.29229
H         -3.05075        1.00098       -2.70016
H         -3.89232       -1.86780       -3.54970
H         -4.00686       -1.23514       -1.91513
H         -3.13723       -2.73060       -2.21627
H         -5.46837       -1.00449        1.38926
H         -5.42208       -3.44719        1.69315
H         -3.41814       -4.71261        1.04692
H         -0.30043       -3.19177       -0.24874
H         -2.18834       -5.49588       -0.92444
H         -0.47691       -5.41414       -1.34399
H         -1.61879       -4.27843       -2.06307
H          0.18373       -5.27561        1.02367
H         -0.42540       -4.00246        2.08591
H         -1.47592       -5.32779        1.59561
H         -2.80649        0.96612       -0.25353
H         -4.34708        0.98887        2.37475
H         -3.52761        2.37195        1.63527
H         -2.58919        1.00300        2.22847
H         -5.80415        0.82141        0.28044
H         -5.06227        0.60228       -1.30230
H         -4.91704        2.14606       -0.45901
H          0.89673       -1.42077        5.44714
H          1.92297       -0.66626        4.21881
H          1.20654       -2.25049        3.91704
H         -1.57261       -1.66135        5.08752
H         -2.33684       -1.06140        3.60659
H         -1.29998       -2.48401        3.54674
H         -1.32478        1.24806        4.05049
H          0.40138        1.40716        4.35324
H         -0.62563        0.58262        5.52984
H          0.36557       -1.31562        1.75649
