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    5.5449   -4.3708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3186   -2.0200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2780   -3.6847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1693   -1.9882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1693   -3.5766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9823   -0.8815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3975   -0.2012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6111    1.2934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1958    0.6131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8846    0.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2999    1.2773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0843    3.9857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6893    3.5538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1045    4.2342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3181    5.7287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9029    5.0484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5916    5.0322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0069    5.7126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2205    7.2072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8052    6.5268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4940    6.5107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9092    7.1910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3697   11.2167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7106   11.7206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8404   11.7418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1575   11.2707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 22  2  0  0  0  0
  1 23  2  0  0  0  0
  1 71  1  0  0  0  0
  2 17  1  0  0  0  0
  2 24  2  0  0  0  0
  2 25  2  0  0  0  0
  2 72  1  0  0  0  0
  3 18  1  0  0  0  0
  3 26  2  0  0  0  0
  3 27  2  0  0  0  0
  3 73  1  0  0  0  0
  4 19  1  0  0  0  0
  4 28  2  0  0  0  0
  4 29  2  0  0  0  0
  4 74  1  0  0  0  0
  5 20  1  0  0  0  0
  5 30  2  0  0  0  0
  5 31  2  0  0  0  0
  5 75  1  0  0  0  0
  6 21  1  0  0  0  0
  6 32  2  0  0  0  0
  6 33  2  0  0  0  0
  6 76  1  0  0  0  0
  7 14  1  0  0  0  0
  7 63  1  0  0  0  0
  7 77  1  0  0  0  0
  7 78  1  0  0  0  0
  8 15  1  0  0  0  0
  8 64  1  0  0  0  0
  8 79  1  0  0  0  0
  8 80  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
 34105  1  0  0  0  0
 34113  1  0  0  0  0
 35115  1  0  0  0  0
 35116  1  0  0  0  0
 36116  2  0  0  0  0
 37 52  1  0  0  0  0
 37122  1  0  0  0  0
 38122  2  0  0  0  0
 39123  2  0  0  0  0
 40124  2  0  0  0  0
 41 53  1  0  0  0  0
 41 55  1  0  0  0  0
 41 56  1  0  0  0  0
 41 57  1  0  0  0  0
 42 54  1  0  0  0  0
 42 58  1  0  0  0  0
 42 59  1  0  0  0  0
 42 60  1  0  0  0  0
 43 81  1  0  0  0  0
 43 83  1  0  0  0  0
 44 82  1  0  0  0  0
 44 84  1  0  0  0  0
 45 81  1  0  0  0  0
 45 93  2  0  0  0  0
 46 82  2  0  0  0  0
 46 94  1  0  0  0  0
 47 83  1  0  0  0  0
 47 95  2  0  0  0  0
 48 84  2  0  0  0  0
 48 96  1  0  0  0  0
 49 93  1  0  0  0  0
 49 94  2  0  0  0  0
 50 95  1  0  0  0  0
 50 96  2  0  0  0  0
 51116  1  0  0  0  0
 51117  1  0  0  0  0
 51208  1  0  0  0  0
 52123  1  0  0  0  0
 52124  1  0  0  0  0
 53 61  1  0  0  0  0
 53127  1  0  0  0  0
 53128  1  0  0  0  0
 54 62  1  0  0  0  0
 54129  1  0  0  0  0
 54130  1  0  0  0  0
 55 65  1  0  0  0  0
 55131  1  0  0  0  0
 55132  1  0  0  0  0
 56 66  1  0  0  0  0
 56133  1  0  0  0  0
 56134  1  0  0  0  0
 57 67  1  0  0  0  0
 57135  1  0  0  0  0
 57136  1  0  0  0  0
 58 68  1  0  0  0  0
 58137  1  0  0  0  0
 58138  1  0  0  0  0
 59 69  1  0  0  0  0
 59139  1  0  0  0  0
 59140  1  0  0  0  0
 60 70  1  0  0  0  0
 60141  1  0  0  0  0
 60142  1  0  0  0  0
 61 63  1  0  0  0  0
 61143  1  0  0  0  0
 61144  1  0  0  0  0
 62 64  1  0  0  0  0
 62145  1  0  0  0  0
 62146  1  0  0  0  0
 63147  1  0  0  0  0
 63148  1  0  0  0  0
 64149  1  0  0  0  0
 64150  1  0  0  0  0
 65 71  1  0  0  0  0
 65151  1  0  0  0  0
 65152  1  0  0  0  0
 66 72  1  0  0  0  0
 66153  1  0  0  0  0
 66154  1  0  0  0  0
 67 73  1  0  0  0  0
 67155  1  0  0  0  0
 67156  1  0  0  0  0
 68 74  1  0  0  0  0
 68157  1  0  0  0  0
 68158  1  0  0  0  0
 69 75  1  0  0  0  0
 69159  1  0  0  0  0
 69160  1  0  0  0  0
 70 76  1  0  0  0  0
 70161  1  0  0  0  0
 70162  1  0  0  0  0
 71163  1  0  0  0  0
 71164  1  0  0  0  0
 72165  1  0  0  0  0
 72166  1  0  0  0  0
 73167  1  0  0  0  0
 73168  1  0  0  0  0
 74169  1  0  0  0  0
 74170  1  0  0  0  0
 75171  1  0  0  0  0
 75172  1  0  0  0  0
 76173  1  0  0  0  0
 76174  1  0  0  0  0
 77175  1  0  0  0  0
 77176  1  0  0  0  0
 77177  1  0  0  0  0
 78178  1  0  0  0  0
 78179  1  0  0  0  0
 78180  1  0  0  0  0
 79181  1  0  0  0  0
 79182  1  0  0  0  0
 79183  1  0  0  0  0
 80184  1  0  0  0  0
 80185  1  0  0  0  0
 80186  1  0  0  0  0
 81 85  2  0  0  0  0
 82 86  1  0  0  0  0
 83 87  2  0  0  0  0
 84 88  1  0  0  0  0
 85 87  1  0  0  0  0
 85 89  1  0  0  0  0
 86 88  1  0  0  0  0
 86 90  2  0  0  0  0
 87 91  1  0  0  0  0
 88 92  2  0  0  0  0
 89 97  2  0  0  0  0
 89187  1  0  0  0  0
 90 99  1  0  0  0  0
 90188  1  0  0  0  0
 91 98  2  0  0  0  0
 91189  1  0  0  0  0
 92100  1  0  0  0  0
 92190  1  0  0  0  0
 93101  1  0  0  0  0
 94102  1  0  0  0  0
 95103  1  0  0  0  0
 96104  1  0  0  0  0
 97 98  1  0  0  0  0
 97191  1  0  0  0  0
 98192  1  0  0  0  0
 99100  2  0  0  0  0
 99193  1  0  0  0  0
100194  1  0  0  0  0
101102  2  0  0  0  0
101105  1  0  0  0  0
102106  1  0  0  0  0
103104  1  0  0  0  0
103107  2  0  0  0  0
104108  2  0  0  0  0
105109  2  0  0  0  0
106110  2  0  0  0  0
106195  1  0  0  0  0
107111  1  0  0  0  0
107196  1  0  0  0  0
108112  1  0  0  0  0
108197  1  0  0  0  0
109110  1  0  0  0  0
109198  1  0  0  0  0
110199  1  0  0  0  0
111112  2  0  0  0  0
111200  1  0  0  0  0
112201  1  0  0  0  0
113114  1  0  0  0  0
113202  1  0  0  0  0
113203  1  0  0  0  0
114115  1  0  0  0  0
114204  1  0  0  0  0
114205  1  0  0  0  0
115206  1  0  0  0  0
115207  1  0  0  0  0
117118  1  0  0  0  0
117209  1  0  0  0  0
117210  1  0  0  0  0
118119  1  0  0  0  0
118211  1  0  0  0  0
118212  1  0  0  0  0
119120  1  0  0  0  0
119213  1  0  0  0  0
119214  1  0  0  0  0
120121  1  0  0  0  0
120215  1  0  0  0  0
120216  1  0  0  0  0
121122  1  0  0  0  0
121217  1  0  0  0  0
121218  1  0  0  0  0
123125  1  0  0  0  0
124126  1  0  0  0  0
125126  1  0  0  0  0
125219  1  0  0  0  0
125220  1  0  0  0  0
126221  1  0  0  0  0
126222  1  0  0  0  0
M  CHG  8  10   1  11   1  12   1  13   1  16  -1  17  -1  18  -1  19  -1
M  CHG  4  20  -1  21  -1  41   1  42   1
M  END
> <PUBCHEM_COMPOUND_CID>
102004325

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
4240

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
29

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
44

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB//jxwAAAAAAAAAAAAAAAAAWLFiBAwYMGAAAAAAFiB9AAAHhQVAEAADATl+gbzvtPYFAOoAiPyfHDCiCkhICApmKEuTJmMJvLEuZuOOCjn1jPI6Ce9yLAOgAABAAAYAAAAAAIAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tetrasodium;3-[3-[[38-[dimethyl-[3-[tris(3-sulfonatopropyl)ammonio]propyl]silyl]oxy-12-[3-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxo-hexyl]carbamoyloxy]propoxy]-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11(16),12,14,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl]oxy-dimethyl-silyl]propyl-bis(3-sulfonatopropyl)ammonio]propane-1-sulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
tetrasodium;3-[3-[[38-[dimethyl-[3-[tris(3-sulfonatopropyl)ammonio]propyl]silyl]oxy-12-[3-[[[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]amino]-oxomethoxy]propoxy]-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11(16),12,14,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl]oxy-dimethylsilyl]propyl-bis(3-sulfonatopropyl)ammonio]-1-propanesulfonate

> <PUBCHEM_IUPAC_NAME_MARKUP>
tetrasodium;3-[3-[[38-[dimethyl-[3-[tris(3-sulfonatopropyl)azaniumyl]propyl]silyl]oxy-12-[3-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]carbamoyloxy]propoxy]-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.1<SUP>10,17</SUP>.1<SUP>28,35</SUP>.0<SUP>2,7</SUP>.0<SUP>8,37</SUP>.0<SUP>11,16</SUP>.0<SUP>20,25</SUP>.0<SUP>26,39</SUP>.0<SUP>29,34</SUP>]hentetraconta-1,3,5,7,9,11(16),12,14,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl]oxy-dimethylsilyl]propyl-bis(3-sulfonatopropyl)azaniumyl]propane-1-sulfonate

> <PUBCHEM_IUPAC_NAME>
tetrasodium;3-[3-[[38-[dimethyl-[3-[tris(3-sulfonatopropyl)azaniumyl]propyl]silyl]oxy-12-[3-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]carbamoyloxy]propoxy]-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11(16),12,14,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl]oxy-dimethylsilyl]propyl-bis(3-sulfonatopropyl)azaniumyl]propane-1-sulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tetrasodium;3-[3-[[12-[3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]carbamoyloxy]propoxy]-38-[dimethyl-[3-[tris(3-sulfonatopropyl)azaniumyl]propyl]silyl]oxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11(16),12,14,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl]oxy-dimethyl-silyl]propyl-bis(3-sulfonatopropyl)azaniumyl]propane-1-sulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tetrasodium;3-[3-[[38-[dimethyl-[3-[tris(3-sulfonatopropyl)ammonio]propyl]silyl]oxy-12-[3-[(6-keto-6-succinimidooxy-hexyl)carbamoyloxy]propoxy]-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11(16),12,14,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl]oxy-dimethyl-silyl]propyl-bis(3-sulfonatopropyl)ammonio]propane-1-sulfonate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C74H100N12O27S6Si3.4Na/c1-120(2,52-21-42-85(36-15-46-114(91,92)93,37-16-47-115(94,95)96)38-17-48-116(97,98)99)112-122(113-121(3,4)53-22-43-86(39-18-49-117(100,101)102,40-19-50-118(103,104)105)41-20-51-119(106,107)108)83-70-56-26-9-10-27-57(56)72(83)80-68-60-30-14-31-61(109-44-23-45-110-74(90)75-35-13-5-6-32-64(89)111-82-62(87)33-34-63(82)88)65(60)69(77-68)81-73-59-29-12-11-28-58(59)71(84(73)122)79-67-55-25-8-7-24-54(55)66(76-67)78-70;;;;/h7-12,14,24-31H,5-6,13,15-23,32-53H2,1-4H3,(H5-2,75,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108);;;;/q;4*+1/p-4

> <PUBCHEM_IUPAC_INCHIKEY>
NTBCSBGVMJMABW-UHFFFAOYSA-J

> <PUBCHEM_EXACT_MASS>
1952.3730696

> <PUBCHEM_MOLECULAR_FORMULA>
C74H96N12Na4O27S6Si3

> <PUBCHEM_MOLECULAR_WEIGHT>
1954.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[Si](C)(CCC[N+](CCCS(=O)(=O)[O-])(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])O[Si]1(N2C3=C4C=CC=CC4=C2N=C5C6=C(C=CC=C6OCCCOC(=O)NCCCCCC(=O)ON7C(=O)CCC7=O)C(=N5)N=C8N1C(=NC9=NC(=N3)C1=CC=CC=C19)C1=CC=CC=C18)O[Si](C)(C)CCC[N+](CCCS(=O)(=O)[O-])(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[Si](C)(CCC[N+](CCCS(=O)(=O)[O-])(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])O[Si]1(N2C3=C4C=CC=CC4=C2N=C5C6=C(C=CC=C6OCCCOC(=O)NCCCCCC(=O)ON7C(=O)CCC7=O)C(=N5)N=C8N1C(=NC9=NC(=N3)C1=CC=CC=C19)C1=CC=CC=C18)O[Si](C)(C)CCC[N+](CCCS(=O)(=O)[O-])(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

> <PUBCHEM_CACTVS_TPSA>
606

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1952.3730696

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
126

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
5

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
101  102  8
101  105  8
102  106  8
103  104  8
103  107  8
104  108  8
105  109  8
106  110  8
107  111  8
108  112  8
109  110  8
111  112  8
43  81  8
43  83  8
44  82  8
44  84  8
45  81  8
45  93  8
46  82  8
46  94  8
47  83  8
47  95  8
48  84  8
48  96  8
49  93  8
49  94  8
50  95  8
50  96  8
81  85  8
82  86  8
83  87  8
84  88  8
85  87  8
85  89  8
86  88  8
86  90  8
87  91  8
88  92  8
89  97  8
90  99  8
91  98  8
92  100  8
97  98  8
99  100  8

$$$$
