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TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM (O)
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ID: BP-10487
CAS:51364-51-3 Supplier:BroadPharm SMILES:C(=C\c1ccccc1)/C(=O)/C=C/c1ccccc1.C(=C\c1ccccc1)/C(=O)/C=C/c1ccccc1.C(=C\c1ccccc1)/C(=O)/C=C/c1ccccc1.[Pd].[Pd] FORMULA: C51H42O3Pd2
MASS: 915.7174
EXACT MASS: 914.1203672
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 C 5 C 6
------------------------------------------------------------------
C 1 0.0000
C 2 1.1167 0.0000
C 3 5.2860 5.1667 0.0000
C 4 5.1667 5.2860 1.1167 0.0000
C 5 2.8106 2.5792 2.5875 2.8182 0.0000
C 6 2.5792 2.8106 2.8182 2.5875 1.1167 0.0000
C 7 4.8738 5.1232 1.7062 0.6460 2.8151 2.3304
C 8 5.1246 4.8743 0.6496 1.7104 2.3314 2.8176
C 9 1.7104 0.6496 5.5204 5.7427 2.9582 3.3547
C 10 0.6460 1.7062 5.7415 5.5200 3.3526 2.9574
C 11 2.8209 2.3355 2.9540 3.3511 0.6435 1.7080
C 12 2.3344 2.8184 3.3490 2.9533 1.7039 0.6398
C 13 0.6496 0.6425 5.5196 5.5204 2.9566 2.9582
C 14 4.8743 4.8733 0.6425 0.6496 2.3294 2.3314
C 15 2.3355 2.3335 2.9525 2.9540 0.6362 0.6435
O 16 4.2375 4.2364 1.1143 1.1184 1.7129 1.7156
O 17 1.1220 1.1179 6.1625 6.1632 3.5930 3.5943
O 18 1.7118 1.7091 3.5930 3.5943 1.1107 1.1148
C 19 5.6304 5.2869 1.1208 2.2375 2.8198 3.4208
C 20 5.2842 5.6254 2.2250 1.1083 3.4126 2.8149
C 21 2.2375 1.1208 5.2869 5.6304 2.8122 3.4145
C 22 1.1083 2.2250 5.6254 5.2842 3.4063 2.8072
C 23 3.4145 2.8122 2.8198 3.4208 1.1208 2.2375
C 24 2.8072 3.4063 3.4126 2.8149 2.2250 1.1083
Pd 25 5.1327 6.2226 7.2604 6.3512 6.2476 5.1629
Pd 26 6.3108 7.2136 6.1433 5.0529 6.1827 5.1006
C 27 2.8188 1.7144 5.7439 6.1643 3.3568 4.0342
C 28 2.3277 1.2915 4.6617 5.0480 2.2383 2.9598
C 29 5.5930 5.1260 1.7144 2.8188 2.8200 3.5998
C 30 6.2322 5.9237 1.2956 2.3300 3.4260 3.9355
C 31 5.9213 6.2277 2.3180 1.2848 3.9284 3.4219
C 32 5.1232 5.5889 2.8106 1.7062 3.5934 2.8151
C 33 3.6025 2.8234 3.3531 4.0311 1.7121 2.8174
C 34 3.9286 3.4182 2.2383 2.9598 1.2956 2.3300
C 35 3.4141 3.9215 2.9503 2.2321 2.3180 1.2848
C 36 2.8184 3.5960 4.0254 3.3490 2.8091 1.7039
C 37 1.2807 2.3157 5.0424 4.6588 2.9503 2.2321
C 38 1.7062 2.8106 6.1605 5.7415 4.0284 3.3526
C 39 6.1600 5.6304 2.2375 3.3542 3.4208 4.2362
C 40 6.7499 6.3682 1.9453 2.9649 3.9402 4.5312
C 41 1.9339 2.9543 5.0432 4.5217 3.2239 2.3250
C 42 3.3542 2.2375 5.6304 6.1600 3.4145 4.2312
C 43 2.9622 1.9411 4.5248 5.0478 2.3310 3.2311
C 44 2.2333 3.3500 6.1577 5.6287 4.2279 3.4117
C 45 4.5246 3.9327 2.3310 3.2311 1.9453 2.9649
C 46 3.9291 4.5195 3.2239 2.3250 2.9571 1.9381
C 47 3.4117 4.2279 4.2329 3.4180 3.3500 2.2333
C 48 4.2312 3.4145 3.4208 4.2362 2.2375 3.3542
C 49 6.3660 6.7464 2.9571 1.9381 4.5260 3.9366
C 50 5.6287 6.1577 3.3500 2.2333 4.2329 3.4180
C 51 6.7145 6.2322 2.3300 3.4166 3.9355 4.6618
C 52 6.2307 6.7124 3.4125 2.3260 4.6587 3.9331
C 53 3.9262 4.6530 3.8699 2.9566 3.4125 2.3260
C 54 4.6560 3.9286 2.9598 3.8736 2.3300 3.4166
C 55 2.3237 3.4109 5.6301 5.0461 3.8699 2.9566
C 56 3.4150 2.3277 5.0480 5.6326 2.9598 3.8736
C 7 C 8 C 9 C 10 C 11 C 12
------------------------------------------------------------------
C 7 0.0000
C 8 2.2375 0.0000
C 9 5.6304 5.1667 0.0000
C 10 5.1667 5.6304 2.2375 0.0000
C 11 3.4113 2.5750 2.5917 3.4239 0.0000
C 12 2.5750 3.4113 3.4239 2.5917 2.2375 0.0000
C 13 5.2869 5.2860 1.1167 1.1208 2.8220 2.8237
C 14 1.1208 1.1167 5.2860 5.2869 2.8067 2.8083
C 15 2.8083 2.8067 2.8220 2.8237 1.1167 1.1208
O 16 1.2915 1.2879 4.6608 4.6617 2.2326 2.2347
O 17 5.9196 5.9188 1.2900 1.2935 3.4247 3.4260
O 18 3.4142 3.4129 2.2399 2.2420 1.2921 1.2956
C 19 2.8146 0.6460 5.5200 6.1624 2.9533 4.0282
C 20 0.6388 2.8064 6.1586 5.5192 4.0225 2.9517
C 21 5.5909 4.8738 0.6460 2.8146 2.3344 3.5992
C 22 4.8728 5.5868 2.8064 0.6388 3.5928 2.3325
C 23 3.5966 2.3304 2.9574 4.0312 0.6398 2.8132
C 24 2.3284 3.5901 4.0255 2.9558 2.8050 0.6326
Pd 25 5.7123 7.5789 6.8414 4.6900 6.7428 4.5450
Pd 26 4.4371 6.6454 7.8622 6.1107 6.8033 4.6704
C 27 6.1622 5.2869 1.1208 3.3583 2.8237 4.2421
C 28 5.0454 4.2369 1.1163 2.9582 1.7182 3.2337
C 29 3.3583 1.1208 5.2869 6.1622 2.8083 4.2319
C 30 2.9609 1.1235 6.1670 6.7481 3.5936 4.5187
C 31 1.1194 2.9531 6.7447 6.1663 4.5136 3.5924
C 32 1.1167 3.3542 6.1600 5.2860 4.2286 2.8067
C 33 4.2319 2.8083 2.8237 4.2421 1.1208 3.3583
C 34 3.2275 1.7064 3.5978 4.5220 1.1127 2.9568
C 35 1.7037 3.2203 4.5169 3.5965 2.9490 1.1086
C 36 2.8067 4.2286 4.2388 2.8220 3.3542 1.1167
C 37 4.2359 5.0408 2.9504 1.1122 3.2266 1.7156
C 38 5.2860 6.1600 3.3542 1.1167 4.2388 2.8220
C 39 3.9260 1.7062 5.7415 6.7429 3.3490 4.8701
C 40 3.6011 1.7164 6.5631 7.2867 4.0338 5.1277
C 41 4.0327 5.1251 3.5943 1.7075 3.5973 1.7138
C 42 6.2249 5.1232 1.7062 3.9260 2.8184 4.5217
C 43 5.1277 4.0338 1.7102 3.5981 1.7164 3.6011
C 44 5.1232 6.2249 3.9260 1.7062 4.5217 2.8184
C 45 3.5966 1.7070 4.0379 5.1309 1.7070 3.5966
C 46 1.7043 3.5928 5.1282 4.0367 3.5928 1.7043
C 47 2.8151 4.5196 4.8726 3.3526 3.9250 1.7039
C 48 4.5196 2.8151 3.3526 4.8726 1.7039 3.9250
C 49 1.7138 3.5973 7.2848 6.5624 5.1251 4.0327
C 50 1.7062 3.9260 6.7429 5.7415 4.8701 3.3490
C 51 4.0322 1.9381 6.3660 7.2820 3.9253 5.2830
C 52 1.9381 4.0322 7.2820 6.3660 5.2830 3.9253
C 53 2.3250 4.2318 5.2858 3.9291 4.0292 1.9318
C 54 4.2318 2.3250 3.9291 5.2858 1.9318 4.0292
C 55 4.5217 5.7400 4.0302 1.9339 4.2365 2.3337
C 56 5.7400 4.5217 1.9339 4.0302 2.3337 4.2365
C 13 C 14 C 15 O 16 O 17 O 18
------------------------------------------------------------------
C 13 0.0000
C 14 5.1667 0.0000
C 15 2.5917 2.5750 0.0000
O 16 4.5250 0.6417 1.9333 0.0000
O 17 0.6458 5.8125 3.2375 5.1708 0.0000
O 18 1.9417 3.2250 0.6500 2.5833 2.5875 0.0000
C 19 5.7415 1.7062 3.3490 1.9339 6.3620 3.9253
C 20 5.7402 1.7021 3.3469 1.9303 6.3609 3.9235
C 21 1.7062 5.1232 2.8184 4.5217 1.9360 2.3279
C 22 1.7021 5.1219 2.8159 4.5201 1.9324 2.3249
C 23 3.3526 2.8151 1.7039 2.3308 3.9253 1.9318
C 24 3.3505 2.8126 1.6998 2.3278 3.9235 1.9282
Pd 25 5.7595 6.6186 5.6420 6.2914 5.9662 5.5593
Pd 26 6.9533 5.5403 5.7288 5.4758 7.3694 5.9542
C 27 2.2375 5.6304 3.4239 5.0480 2.3288 2.9625
C 28 1.9339 4.5217 2.3337 3.9328 2.3250 1.9381
C 29 5.6304 2.2375 3.4113 2.3277 6.2283 3.9252
C 30 6.3660 1.9381 3.9253 2.3279 6.9911 4.5217
C 31 6.3649 1.9345 3.9235 2.3249 6.9901 4.5201
C 32 5.6304 2.2375 3.4113 2.3277 6.2283 3.9252
C 33 3.4239 3.4113 2.2375 2.9570 3.9355 2.3300
C 34 3.9291 2.3250 1.9318 1.9360 4.5217 2.3250
C 35 3.9273 2.3220 1.9282 1.9324 4.5201 2.3220
C 36 3.4239 3.4113 2.2375 2.9570 3.9355 2.3300
C 37 1.9303 4.5201 2.3307 3.9310 2.3220 1.9345
C 38 2.2375 5.6304 3.4239 5.0480 2.3288 2.9625
C 39 6.1605 2.8106 4.0254 2.9543 6.7426 4.5162
C 40 6.8429 2.5877 4.4746 2.9625 7.4561 5.0480
C 41 2.5836 4.4746 2.5877 3.9320 2.9598 2.3300
C 42 2.8106 5.5889 3.5960 5.0432 2.9557 3.2260
C 43 2.5836 4.4746 2.5877 3.9320 2.9598 2.3300
C 44 2.8146 5.5909 3.5992 5.0454 2.9596 3.2296
C 45 4.4782 2.5815 2.5815 2.3288 5.0480 2.9598
C 46 4.4782 2.5815 2.5815 2.3288 5.0480 2.9598
C 47 4.0312 3.5966 2.8132 3.2316 4.5187 2.9568
C 48 4.0284 3.5934 2.8091 3.2281 4.5162 2.9530
C 49 6.8429 2.5877 4.4746 2.9625 7.4561 5.0480
C 50 6.1624 2.8146 4.0282 2.9582 6.7443 4.5187
C 51 6.7464 2.9571 4.5162 3.2260 7.3392 5.0432
C 52 6.7481 2.9609 4.5187 3.2296 7.3408 5.0454
C 53 4.5220 3.2275 2.9568 2.9596 5.0454 3.2275
C 54 4.5195 3.2239 2.9530 2.9557 5.0432 3.2239
C 55 2.9582 5.0454 3.2337 4.5253 3.2275 2.9609
C 56 2.9543 5.0432 3.2302 4.5227 3.2239 2.9571
C 19 C 20 C 21 C 22 C 23 C 24
------------------------------------------------------------------
C 19 0.0000
C 20 3.3458 0.0000
C 21 5.1667 6.1554 0.0000
C 22 6.1554 5.1667 3.3458 0.0000
C 23 2.5875 4.2296 2.5792 4.2245 0.0000
C 24 4.2296 2.5875 4.2245 2.5792 3.3458 0.0000
Pd 25 8.2246 5.5244 7.3247 4.0653 7.3459 4.1034
Pd 26 7.2459 3.9850 8.1730 5.4932 7.2793 4.0454
C 27 5.5204 6.7404 0.6496 3.9218 2.9582 4.8692
C 28 4.5250 5.6276 0.6417 3.4068 1.9375 3.8663
C 29 0.6496 3.9218 4.8743 6.2223 2.3314 4.5159
C 30 0.6500 3.4084 5.8167 6.7103 3.2375 4.6557
C 31 3.4084 0.6500 6.7103 5.8167 4.6557 3.2375
C 32 3.9260 0.6533 6.2249 4.8748 4.5196 2.3324
C 33 2.9540 4.8667 2.3355 4.5180 0.6435 3.9208
C 34 1.9375 3.8663 3.2292 4.6500 0.6500 3.4084
C 35 3.8663 1.9375 4.6500 3.2292 3.4084 0.6500
C 36 4.8701 2.9549 4.5217 2.3365 3.9250 0.6472
C 37 5.6276 4.5250 3.4068 0.6417 3.8663 1.9375
C 38 6.7429 5.5209 3.9260 0.6533 4.8726 2.9590
C 39 1.1167 4.4625 5.2860 6.8271 2.8182 5.1584
C 40 1.1256 4.0281 6.1674 7.2798 3.6066 5.2883
C 41 5.7400 4.2381 4.0302 1.1206 4.2318 1.7092
C 42 5.2860 6.8271 1.1167 4.4625 2.8106 5.1542
C 43 4.2375 5.7371 1.1184 4.0261 1.7078 4.2279
C 44 6.8325 5.2878 4.4708 1.1250 5.1614 2.8139
C 45 1.7078 4.2279 3.5984 5.2827 1.1256 4.0281
C 46 4.2318 1.7092 5.2858 3.5991 4.0322 1.1277
C 47 5.1656 2.8215 5.1614 2.8139 4.4708 1.1250
C 48 2.8182 5.1584 2.8106 5.1542 1.1167 4.4625
C 49 4.0322 1.1277 7.2820 6.1678 5.2914 3.6073
C 50 4.4708 1.1250 6.8325 5.2878 5.1656 2.8215
C 51 1.2921 4.5096 5.9229 7.3313 3.4247 5.5132
C 52 4.5178 1.2993 7.3364 5.9245 5.5199 3.4274
C 53 4.8726 2.2404 5.5151 3.4196 4.5178 1.2993
C 54 2.2363 4.8650 3.4168 5.5083 1.2921 4.5096
C 55 6.3611 4.6628 4.5166 1.2951 4.8726 2.2404
C 56 4.6608 6.3553 1.2879 4.5084 2.2363 4.8650
Pd 25 Pd 26 C 27 C 28 C 29 C 30
------------------------------------------------------------------
Pd 25 0.0000
Pd 26 2.7385 0.0000
C 27 7.9370 8.8225 0.0000
C 28 7.2447 7.8815 1.1184 0.0000
C 29 8.5808 7.7578 5.1667 4.2375 0.0000
C 30 8.5548 7.3814 6.1674 5.1750 1.1256 0.0000
C 31 6.0051 4.2264 7.2798 6.1624 4.0281 3.3458
C 32 4.8985 3.3496 6.8352 5.7400 4.4750 4.0322
C 33 7.8521 7.8935 2.5917 1.7196 2.5750 3.5943
C 34 7.4927 7.1838 3.5984 2.5875 1.7078 2.5875
C 35 4.3607 3.8709 5.2827 4.2296 4.2279 4.2296
C 36 3.4672 3.6530 5.1713 4.2365 5.1630 5.2830
C 37 3.9193 5.0493 4.0261 3.3458 5.7371 6.1624
C 38 3.6552 5.3734 4.4750 4.0302 6.8352 7.2820
C 39 9.2205 8.3492 5.5196 4.6608 0.6425 1.2921
C 40 9.2039 8.0093 6.4667 5.5287 1.3000 0.6496
C 41 3.3187 4.4107 4.6577 3.9260 5.9196 6.2314
C 42 8.4276 9.1653 0.6425 1.2879 4.8733 5.9229
C 43 7.7877 8.2715 1.2917 0.6496 3.8750 4.8825
C 44 3.0122 4.7844 5.0438 4.5166 6.9840 7.3364
C 45 8.1231 7.7193 3.8792 2.9663 1.2875 2.3314
C 46 4.0436 3.2595 5.9223 4.8775 4.6565 4.5196
C 47 3.0635 3.0134 5.8111 4.8726 5.5184 5.5199
C 48 8.4461 8.3782 2.9566 2.2363 2.3294 3.4247
C 49 5.9226 3.8968 7.8641 6.7496 4.6600 3.9260
C 50 4.8027 2.9318 7.4494 6.3611 5.0438 4.5178
C 51 9.5163 8.4671 6.1667 5.2941 1.1215 1.1167
C 52 5.3486 3.2524 7.9407 6.8388 5.1269 4.4708
C 53 3.4004 2.7748 6.1617 5.1656 5.2853 5.1656
C 54 8.5740 8.2953 3.5971 2.8182 1.7051 2.8182
C 55 2.8121 4.2675 5.1253 4.4708 6.5555 6.8388
C 56 8.3582 8.9064 1.1143 1.1167 4.2364 5.2941
C 31 C 32 C 33 C 34 C 35 C 36
------------------------------------------------------------------
C 31 0.0000
C 32 1.1277 0.0000
C 33 5.2799 5.1630 0.0000
C 34 4.2296 4.2318 1.1148 0.0000
C 35 2.5875 1.7092 4.0251 3.3458 0.0000
C 36 3.5949 2.5750 4.4750 4.0292 1.1169 0.0000
C 37 5.1750 4.2381 4.2327 4.2296 2.5875 1.7210
C 38 6.1678 5.1667 5.1713 5.2858 3.5991 2.5917
C 39 4.5096 5.0397 2.9525 2.2363 4.8650 5.8054
C 40 3.9218 4.6600 3.8750 2.9663 4.8742 5.9196
C 41 4.8830 3.8750 4.6600 4.5196 2.3324 1.3000
C 42 7.3313 6.9810 2.3335 3.4168 5.5083 5.5164
C 43 6.2287 5.9196 1.3000 2.3314 4.5159 4.6600
C 44 5.9245 4.8738 5.5201 5.5151 3.4196 2.3344
C 45 4.5159 4.6565 1.2875 0.6496 3.9218 4.6565
C 46 2.3324 1.2875 4.6565 3.9260 0.6533 1.2875
C 47 3.4274 2.3304 5.0430 4.5178 1.2993 0.6398
C 48 5.5132 5.5147 0.6362 1.2921 4.5096 5.0389
C 49 0.6533 1.3000 5.9196 4.8775 2.9671 3.8750
C 50 1.2993 0.6460 5.8090 4.8726 2.2404 2.9533
C 51 4.4625 5.1228 3.5930 2.8182 5.1584 6.1559
C 52 1.1250 1.1235 6.1593 5.1656 2.8215 3.5936
C 53 2.8215 1.7064 5.1245 4.4708 1.1250 1.1127
C 54 5.1584 5.2814 1.1107 1.1167 4.4625 5.1205
C 55 5.2959 4.2369 5.2891 5.1656 2.8215 1.7182
C 56 6.8333 6.5523 1.7169 2.8182 5.1584 5.2852
C 37 C 38 C 39 C 40 C 41 C 42
------------------------------------------------------------------
C 37 0.0000
C 38 1.1206 0.0000
C 39 6.3553 7.4466 0.0000
C 40 6.7472 7.8641 1.1215 0.0000
C 41 0.6533 1.2917 6.5523 6.8415 0.0000
C 42 4.5084 5.0397 5.1667 6.1667 5.1213 0.0000
C 43 3.9218 4.6577 4.2364 5.1750 4.4750 1.1143
C 44 1.2951 0.6460 7.6102 7.9407 1.1163 5.5875
C 45 4.8742 5.9223 1.7051 2.5875 5.1692 3.5971
C 46 2.9671 3.8792 5.2814 5.1692 2.5875 6.1583
C 47 2.2404 2.9574 6.1575 6.1665 1.7064 6.1541
C 48 4.8650 5.8075 2.5875 3.6053 5.2814 2.5792
C 49 5.5291 6.4667 5.1228 4.4750 5.1750 7.9381
C 50 4.6628 5.5200 5.5875 5.1269 4.2369 7.6102
C 51 6.8333 7.9381 0.6500 0.6425 6.9868 5.8167
C 52 5.2959 6.1670 5.6252 5.0438 4.8820 8.0656
C 53 2.8215 3.5978 5.9139 5.8152 2.3304 6.4535
C 54 5.1584 6.1583 1.9375 2.9648 5.5147 3.2292
C 55 1.1250 1.1163 7.1900 7.4555 0.6460 5.6242
C 56 4.4625 5.1213 4.5250 5.5279 5.0397 0.6417
C 43 C 44 C 45 C 46 C 47 C 48
------------------------------------------------------------------
C 43 0.0000
C 44 5.1253 0.0000
C 45 2.5875 6.1617 0.0000
C 46 5.1692 3.5978 4.4750 0.0000
C 47 5.2853 2.5792 5.1269 1.1235 0.0000
C 48 1.7051 6.1541 1.1215 5.1228 5.5875 0.0000
C 49 6.8415 6.1670 5.1692 2.5875 3.6060 6.1631
C 50 6.5555 5.1667 5.2853 1.7064 2.5875 6.1575
C 51 4.8816 8.0656 2.3294 5.5147 6.4577 3.2375
C 52 6.9898 5.8167 5.5184 2.3304 3.2375 6.4577
C 53 5.5184 3.2292 5.0438 0.6460 0.6500 5.6252
C 54 2.3294 6.4535 0.6425 5.0397 5.6252 0.6500
C 55 5.0438 0.6417 5.8152 2.9655 1.9375 5.9139
C 56 0.6425 5.6242 2.9648 5.8117 5.9139 1.9375
C 49 C 50 C 51 C 52 C 53 C 54
------------------------------------------------------------------
C 49 0.0000
C 50 1.1235 0.0000
C 51 5.0397 5.6252 0.0000
C 52 0.6460 0.6500 5.5875 0.0000
C 53 2.9655 1.9375 6.1575 2.5875 0.0000
C 54 5.8117 5.9139 2.5875 6.1575 5.5875 0.0000
C 55 5.5283 4.5250 7.6158 5.1750 2.5875 6.1575
C 56 7.4527 7.1900 5.1750 7.6158 6.1575 2.5875
C 55 C 56
----------------------
C 55 0.0000
C 56 5.5875 0.0000
ATOMIC CHARGES
C 1 0.0000000000
C 2 0.0000000000
C 3 0.0000000000
C 4 0.0000000000
C 5 0.0000000000
C 6 0.0000000000
C 7 0.0000000000
C 8 0.0000000000
C 9 0.0000000000
C 10 0.0000000000
C 11 0.0000000000
C 12 0.0000000000
C 13 0.0000000000
C 14 0.0000000000
C 15 0.0000000000
O 16 0.0000000000
O 17 0.0000000000
O 18 0.0000000000
C 19 0.0000000000
C 20 0.0000000000
C 21 0.0000000000
C 22 0.0000000000
C 23 0.0000000000
C 24 0.0000000000
Pd 25 0.0000000000
Pd 26 0.0000000000
C 27 0.0000000000
C 28 0.0000000000
C 29 0.0000000000
C 30 0.0000000000
C 31 0.0000000000
C 32 0.0000000000
C 33 0.0000000000
C 34 0.0000000000
C 35 0.0000000000
C 36 0.0000000000
C 37 0.0000000000
C 38 0.0000000000
C 39 0.0000000000
C 40 0.0000000000
C 41 0.0000000000
C 42 0.0000000000
C 43 0.0000000000
C 44 0.0000000000
C 45 0.0000000000
C 46 0.0000000000
C 47 0.0000000000
C 48 0.0000000000
C 49 0.0000000000
C 50 0.0000000000
C 51 0.0000000000
C 52 0.0000000000
C 53 0.0000000000
C 54 0.0000000000
C 55 0.0000000000
C 56 0.0000000000
BOND ANGLES
51 39 29 Car Car Car 120.389
39 29 19 Car Car Car 119.593
55 41 37 Car Car Car 119.961
41 37 22 Car Car Car 119.834
56 42 27 Car Car Car 120.389
42 27 21 Car Car Car 119.593
53 46 35 Car Car Car 119.961
46 35 24 Car Car Car 119.834
54 48 33 Car Car Car 119.418
48 33 23 Car Car Car 121.528
52 49 31 Car Car Car 119.961
49 31 20 Car Car Car 119.834
37 41 55 Car Car Car 119.961
41 55 44 Car Car Car 120.205
27 42 56 Car Car Car 120.389
42 56 43 Car Car Car 120.389
29 39 51 Car Car Car 120.389
39 51 40 Car Car Car 120.389
31 49 52 Car Car Car 119.961
49 52 50 Car Car Car 120.205
33 48 54 Car Car Car 119.418
48 54 45 Car Car Car 120.389
35 46 53 Car Car Car 119.961
46 53 47 Car Car Car 120.205
TORSION ANGLES
9 2 13 1 179.974
9 2 13 17 0.026
7 4 14 3 179.974
7 4 14 16 0.026
12 6 15 5 179.974
12 6 15 18 0.026
20 7 4 14 179.974
19 8 3 14 179.974
21 9 2 13 179.974
22 10 1 13 179.974
23 11 5 15 179.974
24 12 6 15 179.974
2 13 1 10 179.974
17 13 1 10 0.026
4 14 3 8 179.974
16 14 3 8 0.026
6 15 5 11 179.974
18 15 5 11 0.026
29 19 8 3 179.974
30 19 8 3 0.026
31 20 7 4 0.026
32 20 7 4 179.974
27 21 9 2 179.974
28 21 9 2 0.026
37 22 10 1 0.026
38 22 10 1 179.974
33 23 11 5 179.974
34 23 11 5 0.026
35 24 12 6 0.026
36 24 12 6 179.974
42 27 21 9 179.974
42 27 21 28 0.026
43 28 21 9 179.974
43 28 21 27 0.026
39 29 19 8 179.974
39 29 19 30 0.026
40 30 19 8 179.974
40 30 19 29 0.026
49 31 20 7 179.974
49 31 20 32 0.026
50 32 20 7 179.974
50 32 20 31 0.026
48 33 23 11 179.974
48 33 23 34 0.026
45 34 23 11 179.974
45 34 23 33 0.026
46 35 24 12 179.974
46 35 24 36 0.026
47 36 24 12 179.974
47 36 24 35 0.026
41 37 22 10 179.974
41 37 22 38 0.026
44 38 22 10 179.974
44 38 22 37 0.026
51 39 29 19 0.026
51 40 30 19 0.026
55 41 37 22 0.026
56 42 27 21 0.026
56 43 28 21 0.026
55 44 38 22 0.026
54 45 34 23 0.026
53 46 35 24 0.026
53 47 36 24 0.026
54 48 33 23 0.026
52 49 31 20 0.026
52 50 32 20 0.026
39 51 40 30 0.026
49 52 50 32 0.026
46 53 47 36 0.026
48 54 45 34 0.026
41 55 44 38 0.026
42 56 43 28 0.026
37 41 55 44 0.026
27 42 56 43 0.026
29 39 51 40 0.026
31 49 52 50 0.026
33 48 54 45 0.026
35 46 53 47 0.026
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