
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
#
#######################################################################
#
# If this CIF has been generated from an entry in the Cambridge 
# Structural Database, then it will include bibliographic, chemical, 
# crystal, experimental, refinement or atomic coordinate data resulting 
# from the CCDC's data processing and validation procedures.
#
#######################################################################

data_Molecule Name
_cell_length_a                   1
_cell_length_b                   1
_cell_length_c                   1
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C 18.9865 9.1247 84.4647
C2 C 19.318 9.9208 83.3624
C3 C 18.9141 9.5219 82.0953
C4 C 18.118 8.4028 81.9
C5 C 17.7065 7.6699 83.0129
C6 C 18.1779 8.0185 84.2728
O7 O 16.8566 6.6035 82.7749
C8 C 17.6751 8.0356 80.5039
C9 C 18.8188 7.7037 79.5773
C10 C 19.3958 8.6898 78.7729
C11 C 20.3862 8.334 77.8691
C12 C 20.8673 7.0397 77.7779
C13 C 20.3159 6.0572 78.6014
C14 C 19.2912 6.403 79.4762
O15 O 20.8476 4.7916 78.4768
C16 C 21.995 6.7449 76.8191
C17 C 23.3066 7.0573 77.4934
C18 C 23.7704 8.3738 77.6288
C19 C 24.8993 8.6244 78.3957
C20 C 25.629 7.5993 78.9815
C21 C 25.2212 6.2859 78.7646
C22 C 24.0609 6.0381 78.041
O23 O 25.9641 5.2425 79.3108
C24 C 26.8132 7.9202 79.8521
C25 C 22.8001 7.4786 85.7249
C26 C 21.4462 7.7609 85.8616
C27 C 21.0156 9.0869 85.8329
C28 C 21.9701 10.0919 85.7614
C29 C 23.3251 9.8054 85.6836
C30 C 23.7502 8.4758 85.6183
O31 O 24.3122 10.7495 85.6368
C32 C 19.5487 9.4289 85.8305
C33 C 26.3733 7.9857 81.2932
C34 C 26.367 6.8347 82.0608
C35 C 25.9752 6.8479 83.3936
C36 C 25.5839 8.05 83.9802
C37 C 25.5668 9.1983 83.2017
C38 C 25.9469 9.1864 81.8668
C39 C 25.2052 8.1311 85.4396
O40 O 25.9571 5.7092 84.1757
O41 O 25.944 10.2929 81.0639
O42 O 23.0767 9.3478 76.9725
O43 O 20.5102 6.7527 86.0388
O44 O 20.0139 11.0661 83.6136
O45 O 18.9537 9.9759 78.9326
H46 H 19.1872 10.0704 81.2122
H47 H 17.9104 7.4478 85.1468
H48 H 16.9927 7.1887 80.5617
H49 H 17.1271 8.8804 80.0814
H50 H 20.8142 9.0495 77.193
H51 H 18.8076 5.6606 80.0895
H52 H 21.8764 7.3571 75.9263
H53 H 21.9624 5.6953 76.5312
H54 H 25.2499 9.627 78.5633
H55 H 23.7258 5.0274 77.8837
H56 H 27.2438 8.8761 79.561
H57 H 27.5675 7.1408 79.7498
H58 H 26.6681 5.9205 81.5785
H59 H 25.2703 10.105 83.6957
H60 H 25.8093 8.9037 85.9179
H61 H 25.4199 7.1759 85.9148
H62 H 19.4117 10.4844 86.0649
H63 H 19.0257 8.8359 86.5823
H64 H 21.6185 11.1079 85.7997
H65 H 23.1527 6.4639 85.7037
C66 C 20.3792 11.8891 82.5121
H67 H 21.1528 11.3714 81.9344
H68 H 19.5127 12.0666 81.8712
C69 C 20.9498 13.1997 83.0712
H70 H 21.782 13.5359 82.4507
H71 H 21.3045 12.9776 84.0801
N72 N 19.9965 14.3457 83.175
C73 C 20.7083 15.4863 83.794
H74 H 20.0601 16.3602 83.7999
H75 H 20.9759 15.2751 84.8259
H76 H 21.5988 15.7464 83.2274
C77 C 18.8346 13.9971 84.0122
H78 H 19.1577 13.7393 85.0189
H79 H 18.1636 14.8525 84.0717
H80 H 18.2914 13.1528 83.5937
C81 C 19.5325 14.7733 81.8386
H82 H 20.3898 14.9874 81.2043
H83 H 18.8972 14.013 81.3937
H84 H 18.9453 15.687 81.9342
C85 C 23.9838 12.1127 85.8153
H86 H 23.3477 12.4387 84.9861
H87 H 23.4698 12.2621 86.771
C88 C 25.3485 12.8159 85.7834
H89 H 25.9149 12.4989 86.662
H90 H 25.8822 12.4508 84.9026
N91 N 25.3228 14.2984 85.739
C92 C 24.8192 14.8584 87.0078
H93 H 25.4567 14.56 87.8382
H94 H 24.8252 15.9449 86.9384
H95 H 23.8041 14.5216 87.2033
C96 C 26.7065 14.7724 85.5261
H97 H 27.3559 14.4399 86.3334
H98 H 27.1007 14.4189 84.5768
H99 H 26.7051 15.8591 85.4956
C100 C 24.4826 14.7946 84.6267
H101 H 24.7384 14.2599 83.7151
H102 H 23.4312 14.6751 84.8746
H103 H 24.6725 15.8603 84.4945
C104 C 25.3456 11.4783 81.5665
H105 H 24.3392 11.2366 81.9279
H106 H 25.9371 11.8751 82.3965
C107 C 25.218 12.4878 80.4189
H108 H 25.0435 11.9151 79.5052
H109 H 24.3636 13.1403 80.6058
N110 N 26.3955 13.3715 80.1707
C111 C 26.0887 14.225 79.0011
H112 H 25.1973 14.8204 79.1828
H113 H 26.9169 14.9074 78.8208
H114 H 25.9602 13.6305 78.1
C115 C 26.6578 14.2511 81.3285
H116 H 27.4444 14.96 81.0742
H117 H 25.7687 14.8243 81.5812
H118 H 27.0052 13.672 82.1794
C119 C 27.6011 12.5755 79.8768
H120 H 27.8167 11.8897 80.693
H121 H 27.4582 12.0076 78.9603
H122 H 28.4476 13.2467 79.7421
C123 C 23.6468 10.6446 76.873
H124 H 23.5455 11.1555 77.8372
H125 H 24.7048 10.5812 76.6052
C126 C 22.8514 11.4599 75.8508
H127 H 21.7895 11.282 76.0329
H128 H 23.073 12.5214 75.9867
N129 N 23.1045 11.1499 74.4118
C130 C 22.1429 11.9465 73.6184
H131 H 22.3413 11.8175 72.556
H132 H 21.1219 11.6235 73.811
H133 H 22.2401 13.0038 73.8643
C134 C 22.9 9.7177 74.1253
H135 H 22.9954 9.5341 73.0561
H136 H 23.6401 9.1154 74.6464
H137 H 21.9024 9.4137 74.4369
C138 C 24.4735 11.5469 74.0266
H139 H 24.5979 12.6184 74.1798
H140 H 25.2143 10.9953 74.5997
H141 H 24.6366 11.3342 72.9714
C142 C 19.539 10.9777 78.114
H143 H 20.6283 10.8853 78.1604
H144 H 19.1965 10.8348 77.0843
C145 C 19.1015 12.3389 78.6839
H146 H 19.9334 12.7867 79.2309
H147 H 18.2743 12.1424 79.3719
N148 N 18.6354 13.3425 77.6874
C149 C 17.3259 12.9539 77.1321
H150 H 16.5752 12.932 77.9199
H151 H 17.0204 13.6859 76.3878
H152 H 17.3739 11.9734 76.6642
C153 C 18.4945 14.6406 78.3818
H154 H 18.113 15.3826 77.6848
H155 H 17.7833 14.5814 79.2015
H156 H 19.4588 14.9865 78.7433
C157 C 19.6135 13.5159 76.5926
H158 H 20.6002 13.7159 77.0028
H159 H 19.6327 12.6415 75.9497
H160 H 19.32 14.3612 75.9701
C161 C 20.1672 3.6874 79.0251
H162 H 20.3818 2.8445 78.3632
H163 H 19.0842 3.8409 78.9933
C164 C 20.5918 3.3969 80.4767
H165 H 20.7229 4.3616 80.9761
H166 H 19.7977 2.8236 80.9566
N167 N 21.8629 2.6248 80.6385
C168 C 22.2344 2.6482 82.0717
H169 H 21.4296 2.2205 82.6682
H170 H 23.1285 2.0434 82.2193
H171 H 22.4327 3.6754 82.3773
C172 C 21.6825 1.2187 80.2206
H173 H 22.611 0.6655 80.352
H174 H 20.9078 0.7359 80.8141
H175 H 21.3991 1.1505 79.1726
C176 C 22.9532 3.2395 79.8567
H177 H 22.7191 3.1845 78.7961
H178 H 23.0718 4.2857 80.1378
H179 H 23.8824 2.7025 80.0388
C180 C 26.425 4.2709 78.3999
H181 H 26.8458 3.4769 79.0182
H182 H 25.599 3.8762 77.8014
C183 C 27.5032 4.9027 77.4946
H184 H 28.3715 5.1478 78.1112
H185 H 27.094 5.8363 77.0953
N186 N 27.971 4.0813 76.3456
C187 C 29.0438 4.8345 75.6603
H188 H 29.8779 5.0135 76.3371
H189 H 29.418 4.2688 74.8083
H190 H 28.6652 5.7888 75.2988
C191 C 26.8741 3.8421 75.3843
H192 H 26.1158 3.1939 75.8164
H193 H 26.4245 4.7869 75.0841
H194 H 27.2625 3.3486 74.4944
C195 C 28.5111 2.7893 76.8141
H196 H 28.9419 2.239 75.9787
H197 H 29.2962 2.9529 77.5504
H198 H 27.7223 2.1793 77.2483
C199 C 26.815 4.6534 83.7841
H200 H 26.365 4.0952 82.9563
H201 H 27.7761 5.0683 83.464
C202 C 26.9797 3.7629 85.0273
H203 H 26.0826 3.1532 85.1501
H204 H 27.0741 4.4226 85.894
N205 N 28.1505 2.8421 85.0084
C206 C 28.0289 1.9272 86.1648
H207 H 28.8998 1.2759 86.2243
H208 H 27.971 2.4921 87.0938
H209 H 27.1456 1.2991 86.0643
C210 C 28.1638 2.0439 83.7646
H211 H 27.2162 1.5219 83.6461
H212 H 28.3508 2.6846 82.9064
H213 H 28.9582 1.2999 83.8107
C214 C 29.4164 3.5929 85.1324
H215 H 29.434 4.1558 86.0644
H216 H 30.2604 2.9047 85.1388
H217 H 29.547 4.2796 84.2995
C218 C 20.8622 5.7321 86.9531
H219 H 21.6441 6.0944 87.626
H220 H 19.9679 5.5335 87.5514
C221 C 21.3 4.4574 86.1913
H222 H 20.3989 3.9056 85.9181
H223 H 21.8147 4.774 85.2801
N224 N 22.1885 3.5185 86.9385
C225 C 22.3631 2.3031 86.1077
H226 H 23.0214 1.5993 86.6152
H227 H 21.4069 1.8044 85.9581
H228 H 22.7967 2.573 85.1465
C229 C 23.5246 4.1073 87.1785
H230 H 23.9928 4.374 86.2309
H231 H 23.4538 4.991 87.8096
H232 H 24.15 3.3852 87.7016
C233 C 21.574 3.1362 88.2263
H234 H 20.583 2.7146 88.0681
H235 H 22.1845 2.3868 88.7283
H236 H 21.4865 3.9956 88.8874
C237 C 16.1654 6.0223 83.8508
H238 H 15.2096 5.6747 83.4497
H239 H 15.9312 6.7662 84.6192
C240 C 16.9613 4.8756 84.4964
H241 H 16.5668 4.6946 85.4975
H242 H 18.0039 5.2007 84.5677
N243 N 16.9299 3.5844 83.7413
C244 C 17.977 2.7008 84.302
H245 H 18.9543 3.144 84.1153
H246 H 17.8188 2.5713 85.3723
H247 H 17.9201 1.7175 83.8354
C248 C 17.2221 3.8087 82.3097
H249 H 16.4126 4.3605 81.8363
H250 H 18.1344 4.3958 82.2181
H251 H 17.316 2.8487 81.8042
C252 C 15.6187 2.922 83.8859
H253 H 15.6035 1.9885 83.3251
H254 H 15.4145 2.6983 84.9321
H255 H 14.8157 3.5526 83.5099
N256 N 30.455 19.8484 79.4909
C257 C 31.0063 18.5113 79.4881
H258 H 32.0305 18.5252 79.8885
N259 N 30.1966 17.5511 80.1864
C260 C 30.1356 20.2859 78.2275
O261 O 29.7857 21.4058 77.9294
C262 C 29.6057 16.6553 79.3343
O263 O 28.9139 15.7233 79.6566
N264 N 30.3116 19.2365 77.359
C265 C 30.8859 18.078 78.0023
H266 H 31.8355 17.8097 77.5164
N267 N 29.9996 16.9477 78.0555
C268 C 30.3919 19.448 75.9402
H269 H 31.3904 19.1542 75.58
H270 H 30.2289 20.5167 75.7619
C271 C 29.8521 15.9988 76.9831
H272 H 30.8488 15.7368 76.6028
H273 H 29.345 15.1244 77.4074
N274 N 29.3846 18.7372 75.204
C275 C 29.514 17.3381 74.8666
H276 H 30.5579 17.1114 74.6045
N277 N 29.0375 16.4495 75.8889
C278 C 28.5002 19.3962 74.386
O279 O 28.2967 20.5899 74.3719
C280 C 27.8927 15.7842 75.5175
O281 O 27.3202 14.9498 76.1651
N282 N 27.9101 18.4663 73.5639
C283 C 28.4894 17.1496 73.7163
H284 H 28.9193 16.8156 72.7607
N285 N 27.5725 16.1754 74.238
C286 C 27.2351 18.8734 72.3629
H287 H 27.1586 19.9658 72.3911
H288 H 27.8234 18.5635 71.4831
C289 C 26.7246 15.368 73.4057
H290 H 26.3455 14.565 74.0482
H291 H 27.3186 14.9716 72.5693
N292 N 25.9009 18.3522 72.2551
C293 C 25.6424 17.0051 71.8059
H294 H 26.3932 16.7061 71.06
N295 N 25.5697 16.0459 72.8762
C296 C 24.8253 19.1853 72.0575
O297 O 24.8084 20.3808 72.2478
C298 C 24.3108 15.5196 73.0182
O299 O 23.994 14.6476 73.7856
N300 N 23.7811 18.4275 71.5806
C301 C 24.184 17.0699 71.2796
H302 H 24.0646 16.8715 70.2047
N303 N 23.5035 16.0788 72.0611
C304 C 22.6511 19.0506 70.9452
H305 H 22.7633 20.1322 71.0799
H306 H 22.6485 18.8059 69.8707
C307 C 22.2428 15.5047 71.6814
H308 H 22.1149 14.5944 72.276
H309 H 22.2645 15.2833 70.6059
N310 N 21.3892 18.6773 71.5244
C311 C 20.7117 17.4513 71.1648
H312 H 20.8542 17.2407 70.0949
N313 N 21.1013 16.3273 71.9685
C314 C 20.5244 19.6241 72.0213
O315 O 20.8018 20.7734 72.2802
C316 C 20.098 15.8984 72.804
O317 O 20.1578 14.9618 73.5545
N318 N 19.285 19.0423 72.1514
C319 C 19.2435 17.7084 71.5926
H320 H 18.5046 17.6632 70.7794
N321 N 18.9963 16.6837 72.5668
C322 C 18.1016 19.8381 72.3355
H323 H 17.4273 19.7009 71.4759
H324 H 18.4221 20.8843 72.3971
C325 C 17.6815 16.3042 72.997
H326 H 17.0156 16.2509 72.1266
H327 H 17.7829 15.3256 73.4808
N328 N 17.3952 19.5427 73.5537
C329 C 16.469 18.4364 73.6665
H330 H 15.8604 18.3558 72.7544
N331 N 17.1039 17.1872 73.9728
C332 C 17.1635 20.5155 74.4974
O333 O 17.6906 21.6037 74.5424
C334 C 16.8696 16.7846 75.2574
O335 O 17.2815 15.7701 75.7586
N336 N 16.2103 20.0429 75.3685
C337 C 15.6775 18.7645 74.9615
H338 H 14.587 18.8302 74.8369
N339 N 16.0302 17.6891 75.8507
C340 C 15.5058 20.9198 76.2621
H341 H 14.4321 20.9083 76.0166
H342 H 15.9121 21.9272 76.1177
C343 C 15.2993 17.365 77.0475
H344 H 15.623 16.3628 77.3505
H345 H 14.2236 17.383 76.825
N346 N 15.5615 18.2358 78.1594
C347 C 14.9515 19.5272 78.2989
H348 H 13.9132 19.5129 77.9359
N349 N 15.6887 20.5897 77.6498
C350 C 16.0914 17.7742 79.3412
O351 O 16.6235 16.7101 79.5093
C352 C 16.1465 21.528 78.5436
O353 O 16.6689 22.5833 78.2636
N354 N 15.8418 18.7124 80.3147
C355 C 15.1159 19.8458 79.8085
H356 H 14.1741 19.9885 80.3588
N357 N 15.8814 21.07 79.8118
C358 C 15.8876 18.3616 81.7087
H359 H 14.8738 18.4307 82.1293
H360 H 16.2666 17.3341 81.7546
C361 C 15.9056 21.9534 80.9431
H362 H 14.8879 22.0565 81.3534
H363 H 16.2652 22.9255 80.5879
N364 N 16.7767 19.167 82.504
C365 C 16.4471 20.4995 82.9344
H366 H 15.3795 20.5757 83.1884
N367 N 16.8024 21.5232 81.9797
C368 C 17.7698 18.6059 83.2658
O369 O 18.1885 17.4809 83.1637
C370 C 17.7891 22.3569 82.4485
O371 O 18.1886 23.3618 81.905
N372 N 18.1546 19.5187 84.2152
C373 C 17.4229 20.7511 84.1144
H374 H 16.9416 21.0002 85.0716
N375 N 18.222 21.8656 83.6569
C376 C 18.8772 19.1358 85.3993
H377 H 19.0798 18.0624 85.3175
H378 H 18.2541 19.3536 86.2783
C379 C 18.9691 22.6977 84.5603
H380 H 19.2009 23.6251 84.025
H381 H 18.3578 22.9206 85.4499
N382 N 20.1531 19.7793 85.5573
C383 C 20.2971 21.1326 86.0217
H384 H 19.5604 21.3598 86.8062
N385 N 20.2166 22.1161 84.9678
C386 C 21.3108 19.0501 85.6999
O387 O 21.4467 17.8835 85.4475
C388 C 21.4093 22.7686 84.7661
O389 O 21.5892 23.7084 84.0249
N390 N 22.2622 19.8727 86.2545
C391 C 21.7798 21.2056 86.4725
H392 H 21.9348 21.516 87.5162
N393 N 22.3558 22.1827 85.5731
C394 C 23.4309 19.3437 86.8979
H395 H 23.3801 18.2553 86.7765
H396 H 23.4195 19.6314 87.9583
C397 C 23.5962 22.8527 85.858
H398 H 23.6393 23.735 85.2098
H399 H 23.6151 23.1636 86.9152
N400 N 24.6758 19.762 86.3105
C401 C 25.2545 21.0653 86.4994
H402 H 25.1158 21.4109 87.5339
N403 N 24.7569 22.0547 85.5725
C404 C 25.5888 18.8495 85.8563
O405 O 25.3788 17.6784 85.6691
C406 C 25.7287 22.4907 84.7014
O407 O 25.614 23.3919 83.9024
N408 N 26.8011 19.4725 85.7425
C409 C 26.7314 20.8695 86.0639
H410 H 27.4814 21.1346 86.8228
N411 N 26.8589 21.7358 84.9126
C412 C 28.032 18.7472 85.5823
H413 H 28.7336 19.0628 86.3641
H414 H 27.7904 17.6842 85.6768
C415 C 28.1384 22.1441 84.3962
H416 H 28.8269 22.3391 85.2331
H417 H 27.9766 23.0637 83.8225
N418 N 28.6539 18.913 84.3008
C419 C 29.4757 20.0386 83.9693
H420 H 30.1111 20.3258 84.8196
N421 N 28.7272 21.1863 83.4987
C422 C 28.7427 17.8978 83.3774
O423 O 28.1614 16.8477 83.4206
C424 C 29.0678 21.5351 82.2127
O425 O 28.7156 22.5351 81.6288
N426 N 29.6758 18.2703 82.4377
C427 C 30.2393 19.5667 82.7056
H428 H 31.3317 19.5065 82.8183
N429 N 29.8976 20.5591 81.7142
C430 C 30.3155 17.2949 81.5966
H431 H 31.3818 17.2385 81.8574
H432 H 29.8096 16.3422 81.7914
C433 C 30.7083 20.7854 80.5507
H434 H 30.4577 21.7801 80.1659
H435 H 31.7733 20.7496 80.8318

#END
