KEGG   DRUG: Levothyroxine sodium
Entry
D01010                      Drug                                   
Name
Levothyroxine sodium (USP);
Levothyroxine sodium hydrate (JP18);
Levothroid (TN);
Levoxyl (TN);
Synthroid (TN)
Product
ERMEZA (Mylan Specialty L.P.), EUTHYROX (Provell Pharmaceuticals), LEVO-T (Neolpharma), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (Alvogen), LEVOTHYROXINE SODIUM (Amneal Pharmaceuticals NY LLC), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (DIRECT RX), LEVOTHYROXINE SODIUM (Fresenius Kabi USA), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (NuCar Pharmaceuticals), LEVOTHYROXINE SODIUM (NuCare Pharmaceuticals), LEVOTHYROXINE SODIUM (NuCare Pharmaceuticals), LEVOTHYROXINE SODIUM (NuCare Pharmaceuticals), LEVOTHYROXINE SODIUM (NuCare Pharmaceuticals), LEVOTHYROXINE SODIUM (Preferred Pharmaceuticals), LEVOTHYROXINE SODIUM (Preferred Pharmaceuticals), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (RPK Pharmaceuticals), LEVOXYL (Pfizer Laboratories Div Pfizer), SYNTHROID (AbbVie), THYQUIDITY (Azurity Pharmaceuticals), THYQUIDITY (VistaPharm), TIROSINT (IBSA Pharma), TIROSINT (IBSA Pharma), UNITHROID (Amneal Pharmaceuticals LLC)
  Generic
LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (A-S Medication Solutions), LEVOTHYROXINE SODIUM (Accord Healthcare), LEVOTHYROXINE SODIUM (American Health Packaging), LEVOTHYROXINE SODIUM (Amneal Pharmaceuticals NY LLC), LEVOTHYROXINE SODIUM (Aphena Pharma Solutions - Tennessee), LEVOTHYROXINE SODIUM (Ascent Pharmaceuticals), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Bryant Ranch Prepack), LEVOTHYROXINE SODIUM (Camber Pharmaceuticals), LEVOTHYROXINE SODIUM (Cardinal Health 107), LEVOTHYROXINE SODIUM (Cardinal Health 107), LEVOTHYROXINE SODIUM (Direct Rx), LEVOTHYROXINE SODIUM (Lannett Company), LEVOTHYROXINE SODIUM (Lannett Company), LEVOTHYROXINE SODIUM (Lupin Pharmaceuticals), LEVOTHYROXINE SODIUM (Macleods Pharmaceuticals Limited), LEVOTHYROXINE SODIUM (Major Pharmaceuticals), LEVOTHYROXINE SODIUM (Mylan Institutional), LEVOTHYROXINE SODIUM (Mylan Institutional), LEVOTHYROXINE SODIUM (Mylan Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (Northwind Pharmaceuticals), LEVOTHYROXINE SODIUM (NuCare Pharmaceuticals), LEVOTHYROXINE SODIUM (NuCare Pharmaceuticals), LEVOTHYROXINE SODIUM (NuCare Pharmaceuticals), LEVOTHYROXINE SODIUM (NuCare Pharmaceuticals), LEVOTHYROXINE SODIUM (NuCare Pharmaceuticals), LEVOTHYROXINE SODIUM (NuCare Pharmaceuticals), LEVOTHYROXINE SODIUM (PD-Rx Pharmaceuticals), LEVOTHYROXINE SODIUM (PD-Rx Pharmaceuticals), LEVOTHYROXINE SODIUM (Preferred Pharmaceuticals), LEVOTHYROXINE SODIUM (Preferred Pharmaceuticals), LEVOTHYROXINE SODIUM (Preferred Pharmaceuticals), LEVOTHYROXINE SODIUM (Preferred Pharmaceuticals), LEVOTHYROXINE SODIUM (Preferred Pharmaceuticals), LEVOTHYROXINE SODIUM (Preferred Pharmaceuticals), LEVOTHYROXINE SODIUM (Preferred Pharmaceuticals), LEVOTHYROXINE SODIUM (Preferred Pharmaceuticals), LEVOTHYROXINE SODIUM (Preferred Pharmaceuticals), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (Proficient Rx LP), LEVOTHYROXINE SODIUM (RedPharm Drug), LEVOTHYROXINE SODIUM (RedPharm Drug), LEVOTHYROXINE SODIUM (Redpharm drug), LEVOTHYROXINE SODIUM (Redpharm drug), LEVOTHYROXINE SODIUM (Redpharm drug), LEVOTHYROXINE SODIUM (Teva Pharmaceuticals), LEVOTHYROXINE SODIUM (XLCare Pharmaceuticals), LEVOTHYROXINE SODIUM (YARAL Pharma)
Formula
C15H10I4NO4. Na. xH2O
Structure
Simcomp
Class
Hormonal agent
 DG01953  Thyroid preparation
  DG01608  Thyroid hormone replenisher
Remark
Therapeutic category: 2431
ATC code: H03AA01
Chemical structure group: DG00510
Product (DG00510): D01010<JP/US> D11113<US>
Efficacy
Replenisher (thyroid hormone)
  Disease
Hypothyroidism [DS:H00250]
Hashimoto's thyroiditis [DS:H00081]
Target
NR1A (THR) [HSA:7067 7068] [KO:K05547 K08362]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04919  Thyroid hormone signaling pathway
  Network
nt06322  TRH-TSH-TH signaling
Interaction
Structure map
map07043  Antineoplastics - hormones
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H03 THYROID THERAPY
   H03A THYROID PREPARATIONS
    H03AA Thyroid hormones
     H03AA01 Levothyroxine sodium
      D01010  Levothyroxine sodium (USP) <JP/US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Thyroid)
  Levothyroxine
   D01010  Levothyroxine sodium (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   243  Thyroid and parathyroid hormone preparations
    2431  Thyroid hormones
     D01010  Levothyroxine sodium (USP); Levothyroxine sodium hydrate (JP18)
Animal drugs in Japan [BR:br08331]
 96  Agents affecting metabolism
  961  Hormone preparations (except agents for breeding and external use)
   9614  Thyroid and para-thyroid hormone preparations (except agents anti-thyroid)
    D01010  Levothyroxine sodium hydrate
Drug groups [BR:br08330]
 Hormonal agent
  DG01953  Thyroid preparation
   DG01608  Thyroid hormone replenisher
    DG00510  Levothyroxine
     D01010  Levothyroxine sodium
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Thyroid hormone receptor (THR)
    NR1A (THR)
     D01010  Levothyroxine sodium (USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01010  Levothyroxine sodium hydrate
  D01010  Levothyroxine sodium tablets
Drug groups [BR:br08330]
 Hormonal agent
  DG01953  Thyroid preparation
   DG01608  Thyroid hormone replenisher
    DG00510  Levothyroxine
Other DBs
CAS: 25416-65-3
PubChem: 7848073
ChEBI: 6447
LigandBox: D01010
LinkDB
KCF data

ATOM        26
            1   C8y C    28.4332  -19.6165
            2   O2a O    27.2285  -18.9148
            3   C8x C    28.4449  -21.0082
            4   C8x C    29.6494  -18.8914
            5   C8y C    26.0357  -18.2073
            6   C8y C    29.6611  -21.6865
            7   C8y C    30.8657  -19.5697
            8   C8y C    24.8253  -18.9090
            9   C8y C    26.0357  -16.7980
            10  C8y C    30.8774  -20.9731
            11  X   I    29.6787  -23.0782
            12  X   I    32.0645  -18.8505
            13  C8x C    23.6208  -18.2073
            14  X   I    24.8370  -20.3239
            15  C8x C    24.8253  -16.0905
            16  X   I    27.2462  -16.0846
            17  O1a O    32.0996  -21.6514
            18  C8y C    23.6208  -16.7980
            19  C1b C    22.4221  -16.0846
            20  C1c C    21.2234  -16.7863
            21  C6a C    20.0246  -16.0788
            22  N1a N    21.2351  -18.2014
            23  O6a O    20.0304  -14.6696
            24  O6a O    18.8200  -16.7805 #-
            25  O0  O    36.2757  -20.2436
            26  Z   Na   15.7495  -16.8712 #+
BOND        25
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 1
            8     5   9 2
            9     6  10 2
            10    6  11 1
            11    7  12 1
            12    8  13 2
            13    8  14 1
            14    9  15 1
            15    9  16 1
            16   10  17 1
            17   13  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1 #Down
            22   21  23 2
            23   21  24 1
            24    7  10 1
            25   15  18 2
BRACKET     1    34.3700  -21.3500   34.3700  -19.0400
            1    36.8200  -19.0400   36.8200  -21.3500
            1  x
 ORIGINAL  1   25
 REPEAT    1

» Japanese version   » Back

KEGG   DRUG: Liothyronine sodium
Entry
D01011                      Drug                                   
Name
Liothyronine sodium (JP18/USP);
Cytomel (TN);
Triostat (TN)
Product
CYTOMEL (Pfizer Laboratories Div Pfizer)
  Generic
LIOTHYRONINE SODIUM (A-S Medication Solutions), LIOTHYRONINE SODIUM (A-S Medication Solutions), LIOTHYRONINE SODIUM (AvKARE), LIOTHYRONINE SODIUM (Biocon Pharma), LIOTHYRONINE SODIUM (Bryant Ranch Prepack), LIOTHYRONINE SODIUM (Bryant Ranch Prepack), LIOTHYRONINE SODIUM (Bryant Ranch Prepack), LIOTHYRONINE SODIUM (Bryant Ranch Prepack), LIOTHYRONINE SODIUM (Dr. Reddy's Labratories), LIOTHYRONINE SODIUM (Golden State Medical Supply), LIOTHYRONINE SODIUM (Greenstone LLC), LIOTHYRONINE SODIUM (Mayne Pharma Commercial LLC), LIOTHYRONINE SODIUM (Northstar Rx LLC), LIOTHYRONINE SODIUM (NuCare Pharmaceuticals), LIOTHYRONINE SODIUM (PD-Rx Pharmaceuticals), LIOTHYRONINE SODIUM (Preferred Pharmaceuticals), LIOTHYRONINE SODIUM (Proficient Rx LP), LIOTHYRONINE SODIUM (SIGMAPHARM LABORATORIES), LIOTHYRONINE SODIUM (Sun Pharmaceutical Industries), LIOTHYRONINE SODIUM (Teva Pharmaceuticals USA), LIOTHYRONINE SODIUM (XGen Pharmaceuticals DJB), LIOTHYRONINE SODIUM (Zydus Lifesciences Limited), LIOTHYRONINE SODIUM (Zydus Pharmaceuticals (USA))
Formula
C15H11I3NO4. Na
Exact mass
672.772
Mol weight
672.9553
Structure
Simcomp
Class
Hormonal agent
 DG01953  Thyroid preparation
  DG01608  Thyroid hormone replenisher
Remark
Therapeutic category: 2431
ATC code: H03AA02
Chemical structure group: DG01372
Product (DG01372): D01011<JP/US>
Efficacy
Replenisher (thyroid hormone)
  Disease
Hypothyroidism [DS:H00081 H00250 H00251]
Target
NR1A (THR) [HSA:7067 7068] [KO:K05547 K08362]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04919  Thyroid hormone signaling pathway
  Network
nt06322  TRH-TSH-TH signaling
Interaction
Structure map
map07043  Antineoplastics - hormones
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H03 THYROID THERAPY
   H03A THYROID PREPARATIONS
    H03AA Thyroid hormones
     H03AA02 Liothyronine sodium
      D01011  Liothyronine sodium (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Thyroid)
  Liothyronine
   D01011  Liothyronine sodium (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   243  Thyroid and parathyroid hormone preparations
    2431  Thyroid hormones
     D01011  Liothyronine sodium (JP18/USP)
Drug groups [BR:br08330]
 Hormonal agent
  DG01953  Thyroid preparation
   DG01608  Thyroid hormone replenisher
    DG01372  Liothyronine
     D01011  Liothyronine sodium
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Thyroid hormone receptor (THR)
    NR1A (THR)
     D01011  Liothyronine sodium (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01011  Liothyronine sodium
  D01011  Liothyronine sodium tablets
Drug groups [BR:br08330]
 Hormonal agent
  DG01953  Thyroid preparation
   DG01608  Thyroid hormone replenisher
    DG01372  Liothyronine
Other DBs
CAS: 55-06-1
PubChem: 7848074
ChEBI: 6484
LigandBox: D01011
NIKKAJI: J1.372B
LinkDB
KCF data

ATOM        24
            1   C8y C    22.6938  -17.3834
            2   O2a O    23.9120  -18.0919
            3   C8y C    21.4993  -18.0919
            4   C8y C    22.6938  -15.9897
            5   C8y C    25.1241  -18.7889
            6   C8x C    20.2754  -17.3834
            7   X   I    21.4993  -19.4857
            8   C8x C    21.4993  -15.2870
            9   X   I    23.9120  -15.2870
            10  C8x C    26.3421  -18.0919
            11  C8x C    25.1241  -20.1884
            12  C8y C    20.2754  -15.9897
            13  C8y C    27.5543  -18.7889
            14  C8x C    26.3421  -20.8911
            15  C1b C    19.0632  -15.2870
            16  C8y C    27.5543  -20.1884
            17  X   I    28.7605  -18.0919
            18  C1c C    17.8453  -15.9897
            19  O1a O    28.7605  -20.8911
            20  C6a C    16.6331  -15.2870
            21  N1a N    17.8453  -17.3834
            22  O6a O    16.6331  -13.8875
            23  O6a O    15.4149  -15.9897 #-
            24  Z   Na   13.6172  -13.9050 #+
BOND        24
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12   10  13 2
            13   11  14 1
            14   12  15 1
            15   13  16 1
            16   13  17 1
            17   15  18 1
            18   16  19 1
            19   18  20 1
            20   18  21 1 #Down
            21   20  22 2
            22   20  23 1
            23    8  12 1
            24   14  16 2

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