elementtable.h

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/*
##############################################################################
# #
# Open Babel file: elementtable.h #
# #
# Some portions Copyright (c) 2001-2009 Geoffrey R. Hutchison #
# Part of the Open Babel package, under the GNU General Public License (GPL)#
# #
# Created from the Blue Obelisk Cheminformatics Data Repository #
# Direct Source: http://www.blueobelisk.org/ #
# http://www.blueobelisk.org/repos/blueobelisk/elements.xml #
# (includes further bibliographic citation information) #
# #
# Allred and Rochow Electronegativity from: #
# http://www.hull.ac.uk/chemistry/electroneg.php?type=Allred-Rochow #
# #
# Columns represent: (used by data.cpp:OBElementTable and OBElement) #
# - atomic number (used as an index to the vector as well) #
# - elemental symbol #
# - Allred and Rochow electronegativity 0.0 if unknown #
# - covalent radii (in Angstrom) 1.6 if unknown #
# from https://doi.org/10.1039/b801115j #
# - "bond order" radii -- ignored, but included for compatibility #
# - van der Waals radii (in Angstrom) 2.0 if unknown #
# from https://doi.org/10.1021/jp8111556 #
# - maximum bond valence 6 if unknown #
# - IUPAC recommended atomic masses (in amu) #
# - Pauling electronegativity 0.0 if unknown #
# - ionization potential (in eV) 0.0 if unknown #
# - electron affinity (in eV) 0.0 if unknown #
# - RGB values (defaults for visualization) #
# - element name (in English) #
# #
##############################################################################
*/

// Num Symb ARENeg RCov RBO RVdW MaxBnd Mass ElNeg. Ionization ElAffinity Red Green Blue Name

ELEMTABLE( 0, *, 0.00, 0.00, 0.00, 0.00, 0, 0, 0.00, 0, 0, 0.07, 0.50, 0.70, Dummy),
ELEMTABLE( 1, H , 2.20, 0.31, 0.31, 1.10, 1, 1.00794, 2.20, 13.5984, 0.75420375, 0.75, 0.75, 0.75, Hydrogen),
ELEMTABLE( 2, He, 0.00, 0.28, 0.28, 1.40, 0, 4.002602, 0.00, 24.5874, 0, 0.85, 1.00, 1.00, Helium),
ELEMTABLE( 3, Li, 0.97, 1.28, 1.28, 1.81, 1, 6.941, 0.98, 5.3917, 0.618049, 0.80, 0.50, 1.00, Lithium),
ELEMTABLE( 4, Be, 1.47, 0.96, 0.96, 1.53, 2, 9.012182, 1.57, 9.3227, 0, 0.76, 1.00, 0.00, Beryllium),
ELEMTABLE( 5, B , 2.01, 0.84, 0.84, 1.92, 4, 10.811, 2.04, 8.298, 0.279723, 1.00, 0.71, 0.71, Boron),
ELEMTABLE( 6, C , 2.50, 0.76, 0.76, 1.70, 4, 12.0107, 2.55, 11.2603, 1.262118, 0.40, 0.40, 0.40, Carbon),
ELEMTABLE( 7, N , 3.07, 0.71, 0.71, 1.55, 4, 14.0067, 3.04, 14.5341, -0.07, 0.05, 0.05, 1.00, Nitrogen),
ELEMTABLE( 8, O , 3.50, 0.66, 0.66, 1.52, 2, 15.9994, 3.44, 13.6181, 1.461112, 1.00, 0.05, 0.05, Oxygen),
ELEMTABLE( 9, F , 4.10, 0.57, 0.57, 1.47, 1, 18.9984032, 3.98, 17.4228, 3.4011887, 0.50, 0.70, 1.00, Fluorine),
ELEMTABLE( 10, Ne, 0.00, 0.58, 0.58, 1.54, 0, 20.1797, 0.00, 21.5645, 0, 0.70, 0.89, 0.96, Neon),
ELEMTABLE( 11, Na, 1.01, 1.66, 1.66, 2.27, 1, 22.98977, 0.93, 5.1391, 0.547926, 0.67, 0.36, 0.95, Sodium),
ELEMTABLE( 12, Mg, 1.23, 1.41, 1.41, 1.73, 2, 24.3050, 1.31, 7.6462, 0, 0.54, 1.00, 0.00, Magnesium),
ELEMTABLE( 13, Al, 1.47, 1.21, 1.21, 1.84, 6, 26.981538, 1.61, 5.9858, 0.43283, 0.75, 0.65, 0.65, Aluminium),
ELEMTABLE( 14, Si, 1.74, 1.11, 1.11, 2.10, 6, 28.0855, 1.90, 8.1517, 1.389521, 0.50, 0.60, 0.60, Silicon),
ELEMTABLE( 15, P , 2.06, 1.07, 1.07, 1.80, 6, 30.973761, 2.19, 10.4867, 0.7465, 1.00, 0.50, 0.00, Phosphorus),
ELEMTABLE( 16, S , 2.44, 1.05, 1.05, 1.80, 6, 32.065, 2.58, 10.36, 2.0771029, 0.70, 0.70, 0.00, Sulfur),
ELEMTABLE( 17, Cl, 2.83, 1.02, 1.02, 1.75, 1, 35.453, 3.16, 12.9676, 3.612724, 0.12, 0.94, 0.12, Chlorine),
ELEMTABLE( 18, Ar, 0.00, 1.06, 1.06, 1.88, 0, 39.948, 0.00, 15.7596, 0, 0.50, 0.82, 0.89, Argon),
ELEMTABLE( 19, K , 0.91, 2.03, 2.03, 2.75, 1, 39.0983, 0.82, 4.3407, 0.501459, 0.56, 0.25, 0.83, Potassium),
ELEMTABLE( 20, Ca, 1.04, 1.76, 1.76, 2.31, 2, 40.078, 1.00, 6.1132, 0.02455, 0.24, 1.00, 0.00, Calcium),
ELEMTABLE( 21, Sc, 1.20, 1.70, 1.70, 2.30, 6, 44.95591, 1.36, 6.5615, 0.188, 0.90, 0.90, 0.90, Scandium),
ELEMTABLE( 22, Ti, 1.32, 1.60, 1.60, 2.15, 6, 47.867, 1.54, 6.8281, 0.084, 0.75, 0.76, 0.78, Titanium),
ELEMTABLE( 23, V , 1.45, 1.53, 1.53, 2.05, 6, 50.9415, 1.63, 6.7462, 0.525, 0.65, 0.65, 0.67, Vanadium),
ELEMTABLE( 24, Cr, 1.56, 1.39, 1.39, 2.05, 6, 51.9961, 1.66, 6.7665, 0.67584, 0.54, 0.60, 0.78, Chromium),
ELEMTABLE( 25, Mn, 1.60, 1.39, 1.39, 2.05, 8, 54.938049, 1.55, 7.434, 0, 0.61, 0.48, 0.78, Manganese),
ELEMTABLE( 26, Fe, 1.64, 1.32, 1.32, 2.05, 6, 55.845, 1.83, 7.9024, 0.151, 0.88, 0.40, 0.20, Iron),
ELEMTABLE( 27, Co, 1.70, 1.26, 1.26, 2.00, 6, 58.9332, 1.88, 7.881, 0.6633, 0.94, 0.56, 0.63, Cobalt),
ELEMTABLE( 28, Ni, 1.75, 1.24, 1.24, 2.00, 6, 58.6934, 1.91, 7.6398, 1.15716, 0.31, 0.82, 0.31, Nickel),
ELEMTABLE( 29, Cu, 1.75, 1.32, 1.32, 2.00, 6, 63.546, 1.90, 7.7264, 1.23578, 0.78, 0.50, 0.20, Copper),
ELEMTABLE( 30, Zn, 1.66, 1.22, 1.22, 2.10, 6, 65.38, 1.65, 9.3942, 0, 0.49, 0.50, 0.69, Zinc),
ELEMTABLE( 31, Ga, 1.82, 1.22, 1.22, 1.87, 3, 69.723, 1.81, 5.9993, 0.41, 0.76, 0.56, 0.56, Gallium),
ELEMTABLE( 32, Ge, 2.02, 1.20, 1.20, 2.11, 4, 72.64, 2.01, 7.8994, 1.232712, 0.40, 0.56, 0.56, Germanium),
ELEMTABLE( 33, As, 2.20, 1.19, 1.19, 1.85, 3, 74.92160, 2.18, 9.7886, 0.814, 0.74, 0.50, 0.89, Arsenic),
ELEMTABLE( 34, Se, 2.48, 1.20, 1.20, 1.90, 2, 78.96, 2.55, 9.7524, 2.02067, 1.00, 0.63, 0.00, Selenium),
ELEMTABLE( 35, Br, 2.74, 1.20, 1.20, 1.83, 1, 79.904, 2.96, 11.8138, 3.363588, 0.65, 0.16, 0.16, Bromine),
ELEMTABLE( 36, Kr, 0.00, 1.16, 1.16, 2.02, 0, 83.798, 3.00, 13.9996, 0, 0.36, 0.72, 0.82, Krypton),
ELEMTABLE( 37, Rb, 0.89, 2.20, 2.20, 3.03, 1, 85.4678, 0.82, 4.1771, 0.485916, 0.44, 0.18, 0.69, Rubidium),
ELEMTABLE( 38, Sr, 0.99, 1.95, 1.95, 2.49, 2, 87.62, 0.95, 5.6949, 0.05206, 0.00, 1.00, 0.00, Strontium),
ELEMTABLE( 39, Y , 1.11, 1.90, 1.90, 2.40, 6, 88.90585, 1.22, 6.2173, 0.307, 0.58, 1.00, 1.00, Yttrium),
ELEMTABLE( 40, Zr, 1.22, 1.75, 1.75, 2.30, 6, 91.224, 1.33, 6.6339, 0.426, 0.58, 0.88, 0.88, Zirconium),
ELEMTABLE( 41, Nb, 1.23, 1.64, 1.64, 2.15, 6, 92.90638, 1.60, 6.7589, 0.893, 0.45, 0.76, 0.79, Niobium),
ELEMTABLE( 42, Mo, 1.30, 1.54, 1.54, 2.10, 6, 95.96, 2.16, 7.0924, 0.7472, 0.33, 0.71, 0.71, Molybdenum),
ELEMTABLE( 43, Tc, 1.36, 1.47, 1.47, 2.05, 6, 98, 1.90, 7.28, 0.55, 0.23, 0.62, 0.62, Technetium),
ELEMTABLE( 44, Ru, 1.42, 1.46, 1.46, 2.05, 6, 101.07, 2.20, 7.3605, 1.04638, 0.14, 0.56, 0.56, Ruthenium),
ELEMTABLE( 45, Rh, 1.45, 1.42, 1.42, 2.00, 6, 102.90550, 2.28, 7.4589, 1.14289, 0.04, 0.49, 0.55, Rhodium),
ELEMTABLE( 46, Pd, 1.35, 1.39, 1.39, 2.05, 6, 106.42, 2.20, 8.3369, 0.56214, 0.00, 0.41, 0.52, Palladium),
ELEMTABLE( 47, Ag, 1.42, 1.45, 1.45, 2.10, 6, 107.8682, 1.93, 7.5762, 1.30447, 0.88, 0.88, 1.00, Silver),
ELEMTABLE( 48, Cd, 1.46, 1.44, 1.44, 2.20, 6, 112.411, 1.69, 8.9938, 0, 1.00, 0.85, 0.56, Cadmium),
ELEMTABLE( 49, In, 1.49, 1.42, 1.42, 2.20, 3, 114.818, 1.78, 5.7864, 0.404, 0.65, 0.46, 0.45, Indium),
ELEMTABLE( 50, Sn, 1.72, 1.39, 1.39, 1.93, 4, 118.701, 1.96, 7.3439, 1.112066, 0.40, 0.50, 0.50, Tin),
ELEMTABLE( 51, Sb, 1.82, 1.39, 1.39, 2.17, 3, 121.760, 2.05, 8.6084, 1.047401, 0.62, 0.39, 0.71, Antimony),
ELEMTABLE( 52, Te, 2.01, 1.38, 1.38, 2.06, 2, 127.60, 2.10, 9.0096, 1.970875, 0.83, 0.48, 0.00, Tellurium),
ELEMTABLE( 53, I , 2.21, 1.39, 1.39, 1.98, 1, 126.90447, 2.66, 10.4513, 3.059038, 0.58, 0.00, 0.58, Iodine),
ELEMTABLE( 54, Xe, 0.00, 1.40, 1.40, 2.16, 0, 131.293, 2.60, 12.1298, 0, 0.26, 0.62, 0.69, Xenon),
ELEMTABLE( 55, Cs, 0.86, 2.44, 2.44, 3.43, 1, 132.90545, 0.79, 3.8939, 0.471626, 0.34, 0.09, 0.56, Caesium),
ELEMTABLE( 56, Ba, 0.97, 2.15, 2.15, 2.68, 2, 137.327, 0.89, 5.2117, 0.14462, 0.00, 0.79, 0.00, Barium),
ELEMTABLE( 57, La, 1.08, 2.07, 2.07, 2.50, 12, 138.9055, 1.10, 5.5769, 0.47, 0.44, 0.83, 1.00, Lanthanum),
ELEMTABLE( 58, Ce, 0.00, 2.04, 2.04, 2.48, 6, 140.116, 1.12, 5.5387, 0.5, 1.00, 1.00, 0.78, Cerium),
ELEMTABLE( 59, Pr, 0.00, 2.03, 2.03, 2.47, 6, 140.90765, 1.13, 5.473, 0.5, 0.85, 1.00, 0.78, Praseodymium),
ELEMTABLE( 60, Nd, 0.00, 2.01, 2.01, 2.45, 6, 144.24, 1.14, 5.525, 0.5, 0.78, 1.00, 0.78, Neodymium),
ELEMTABLE( 61, Pm, 0.00, 1.99, 1.99, 2.43, 6, 145, 0.00, 5.582, 0.5, 0.64, 1.00, 0.78, Promethium),
ELEMTABLE( 62, Sm, 0.00, 1.98, 1.98, 2.42, 6, 150.36, 1.17, 5.6437, 0.5, 0.56, 1.00, 0.78, Samarium),
ELEMTABLE( 63, Eu, 0.00, 1.98, 1.98, 2.40, 6, 151.964, 0.00, 5.6704, 0.5, 0.38, 1.00, 0.78, Europium),
ELEMTABLE( 64, Gd, 0.00, 1.96, 1.96, 2.38, 6, 157.25, 1.20, 6.1498, 0.5, 0.27, 1.00, 0.78, Gadolinium),
ELEMTABLE( 65, Tb, 0.00, 1.94, 1.94, 2.37, 6, 158.92534, 0.00, 5.8638, 0.5, 0.19, 1.00, 0.78, Terbium),
ELEMTABLE( 66, Dy, 0.00, 1.92, 1.92, 2.35, 6, 162.500, 1.22, 5.9389, 0.5, 0.12, 1.00, 0.78, Dysprosium),
ELEMTABLE( 67, Ho, 0.00, 1.92, 1.92, 2.33, 6, 164.93032, 1.23, 6.0215, 0.5, 0.00, 1.00, 0.61, Holmium),
ELEMTABLE( 68, Er, 0.00, 1.89, 1.89, 2.32, 6, 167.259, 1.24, 6.1077, 0.5, 0.00, 0.90, 0.46, Erbium),
ELEMTABLE( 69, Tm, 0.00, 1.90, 1.90, 2.30, 6, 168.93421, 1.25, 6.1843, 0.5, 0.00, 0.83, 0.32, Thulium),
ELEMTABLE( 70, Yb, 0.00, 1.87, 1.87, 2.28, 6, 173.054, 0.00, 6.2542, 0.5, 0.00, 0.75, 0.22, Ytterbium),
ELEMTABLE( 71, Lu, 0.00, 1.87, 1.87, 2.27, 6, 174.9668, 1.27, 5.4259, 0.5, 0.00, 0.67, 0.14, Lutetium),
ELEMTABLE( 72, Hf, 1.23, 1.75, 1.75, 2.25, 6, 178.49, 1.30, 6.8251, 0, 0.30, 0.76, 1.00, Hafnium),
ELEMTABLE( 73, Ta, 1.33, 1.70, 1.70, 2.20, 6, 180.9479, 1.50, 7.5496, 0.322, 0.30, 0.65, 1.00, Tantalum),
ELEMTABLE( 74, W , 1.40, 1.62, 1.62, 2.10, 6, 183.84, 2.36, 7.864, 0.815, 0.13, 0.58, 0.84, Tungsten),
ELEMTABLE( 75, Re, 1.46, 1.51, 1.51, 2.05, 6, 186.207, 1.90, 7.8335, 0.15, 0.15, 0.49, 0.67, Rhenium),
ELEMTABLE( 76, Os, 1.52, 1.44, 1.44, 2.00, 6, 190.23, 2.20, 8.4382, 1.0778, 0.15, 0.40, 0.59, Osmium),
ELEMTABLE( 77, Ir, 1.55, 1.41, 1.41, 2.00, 6, 192.217, 2.20, 8.967, 1.56436, 0.09, 0.33, 0.53, Iridium),
ELEMTABLE( 78, Pt, 1.44, 1.36, 1.36, 2.05, 6, 195.078, 2.28, 8.9588, 2.1251, 0.90, 0.85, 0.68, Platinum),
ELEMTABLE( 79, Au, 1.42, 1.36, 1.36, 2.10, 6, 196.96655, 2.54, 9.2255, 2.30861, 0.80, 0.82, 0.12, Gold),
ELEMTABLE( 80, Hg, 1.44, 1.32, 1.32, 2.05, 6, 200.59, 2.00, 10.4375, 0, 0.71, 0.71, 0.76, Mercury),
ELEMTABLE( 81, Tl, 1.44, 1.45, 1.45, 1.96, 3, 204.3833, 1.62, 6.1082, 0.377, 0.65, 0.33, 0.30, Thallium),
ELEMTABLE( 82, Pb, 1.55, 1.46, 1.46, 2.02, 4, 207.2, 2.33, 7.4167, 0.364, 0.34, 0.35, 0.38, Lead),
ELEMTABLE( 83, Bi, 1.67, 1.48, 1.48, 2.07, 3, 208.98040, 2.02, 7.2855, 0.942363, 0.62, 0.31, 0.71, Bismuth),
ELEMTABLE( 84, Po, 1.76, 1.40, 1.40, 1.97, 2, 209, 2.00, 8.414, 1.9, 0.67, 0.36, 0.00, Polonium),
ELEMTABLE( 85, At, 1.90, 1.50, 1.50, 2.02, 1, 210, 2.20, 0, 2.8, 0.46, 0.31, 0.27, Astatine),
ELEMTABLE( 86, Rn, 0.00, 1.50, 1.50, 2.20, 0, 222, 0.00, 10.7485, 0, 0.26, 0.51, 0.59, Radon),
ELEMTABLE( 87, Fr, 0.00, 2.60, 2.60, 3.48, 1, 223, 0.70, 4.0727, 0, 0.26, 0.00, 0.40, Francium),
ELEMTABLE( 88, Ra, 0.00, 2.21, 2.21, 2.83, 2, 226, 0.90, 5.2784, 0, 0.00, 0.49, 0.00, Radium),
ELEMTABLE( 89, Ac, 0.00, 2.15, 2.15, 2.00, 6, 227, 1.10, 5.17, 0, 0.44, 0.67, 0.98, Actinium),
ELEMTABLE( 90, Th, 0.00, 2.06, 2.06, 2.40, 6, 232.0381, 1.30, 6.3067, 0, 0.00, 0.73, 1.00, Thorium),
ELEMTABLE( 91, Pa, 0.00, 2.00, 2.00, 2.00, 6, 231.03588, 1.50, 5.89, 0, 0.00, 0.63, 1.00, Protactinium),
ELEMTABLE( 92, U , 0.00, 1.96, 1.96, 2.30, 6, 238.02891, 1.38, 6.1941, 0, 0.00, 0.56, 1.00, Uranium),
ELEMTABLE( 93, Np, 0.00, 1.90, 1.90, 2.00, 6, 237.05, 1.36, 6.2657, 0, 0.00, 0.50, 1.00, Neptunium),
ELEMTABLE( 94, Pu, 0.00, 1.87, 1.87, 2.00, 6, 244.06, 1.28, 6.026, 0, 0.00, 0.42, 1.00, Plutonium),
ELEMTABLE( 95, Am, 0.00, 1.80, 1.80, 2.00, 6, 243.06, 1.30, 5.9738, 0, 0.33, 0.36, 0.95, Americium),
ELEMTABLE( 96, Cm, 0.00, 1.69, 1.69, 2.00, 6, 247.07, 1.30, 5.9914, 0, 0.47, 0.36, 0.89, Curium),
ELEMTABLE( 97, Bk, 0.00, 1.60, 1.60, 2.00, 6, 247.07, 1.30, 6.1979, 0, 0.54, 0.31, 0.89, Berkelium),
ELEMTABLE( 98, Cf, 0.00, 1.60, 1.60, 2.00, 6, 251.08, 1.30, 6.2817, 0, 0.63, 0.21, 0.83, Californium),
ELEMTABLE( 99, Es, 0.00, 1.60, 1.60, 2.00, 6, 252.08, 1.30, 6.42, 0, 0.70, 0.12, 0.83, Einsteinium),
ELEMTABLE(100, Fm, 0.00, 1.60, 1.60, 2.00, 6, 257.10, 1.30, 6.5, 0, 0.70, 0.12, 0.73, Fermium),
ELEMTABLE(101, Md, 0.00, 1.60, 1.60, 2.00, 6, 258.10, 1.30, 6.58, 0, 0.70, 0.05, 0.65, Mendelevium),
ELEMTABLE(102, No, 0.00, 1.60, 1.60, 2.00, 6, 259.10, 1.30, 6.65, 0, 0.74, 0.05, 0.53, Nobelium),
ELEMTABLE(103, Lr, 0.00, 1.60, 1.60, 2.00, 6, 262.11, 0.00, 4.9, 0, 0.78, 0.00, 0.40, Lawrencium),
ELEMTABLE(104, Rf, 0.00, 1.60, 1.60, 2.00, 6, 265.12, 0.00, 6, 0, 0.80, 0.00, 0.35, Rutherfordium),
ELEMTABLE(105, Db, 0.00, 1.60, 1.60, 2.00, 6, 268.13, 0.00, 0, 0, 0.82, 0.00, 0.31, Dubnium),
ELEMTABLE(106, Sg, 0.00, 1.60, 1.60, 2.00, 6, 271.13, 0.00, 0, 0, 0.85, 0.00, 0.27, Seaborgium),
ELEMTABLE(107, Bh, 0.00, 1.60, 1.60, 2.00, 6, 270, 0.00, 0, 0, 0.88, 0.00, 0.22, Bohrium),
ELEMTABLE(108, Hs, 0.00, 1.60, 1.60, 2.00, 6, 277.15, 0.00, 0, 0, 0.90, 0.00, 0.18, Hassium),
ELEMTABLE(109, Mt, 0.00, 1.60, 1.60, 2.00, 6, 276.15, 0.00, 0, 0, 0.92, 0.00, 0.15, Meitnerium),
ELEMTABLE(110, Ds, 0.00, 1.60, 1.60, 2.00, 6, 281.16, 0.00, 0, 0, 0.93, 0.00, 0.14, Darmstadtium),
ELEMTABLE(111, Rg, 0.00, 1.60, 1.60, 2.00, 6, 280.16, 0.00, 0, 0, 0.94, 0.00, 0.13, Roentgenium),
ELEMTABLE(112, Cn, 0.00, 1.60, 1.60, 2.00, 6, 285.17, 0.00, 0, 0, 0.95, 0.00, 0.12, Copernicium),
ELEMTABLE(113, Nh, 0.00, 1.60, 1.60, 2.00, 6, 284.18, 0.00, 0, 0, 0.96, 0.00, 0.11, Nihonium),
ELEMTABLE(114, Fl, 0.00, 1.60, 1.60, 2.00, 6, 289.19, 0.00, 0, 0, 0.97, 0.00, 0.10, Flerovium),
ELEMTABLE(115, Mc, 0.00, 1.60, 1.60, 2.00, 6, 288.19, 0.00, 0, 0, 0.98, 0.00, 0.09, Moscovium),
ELEMTABLE(116, Lv, 0.00, 1.60, 1.60, 2.00, 6, 293, 0.00, 0, 0, 0.99, 0.00, 0.08, Livermorium),
ELEMTABLE(117, Ts, 0.00, 1.60, 1.60, 2.00, 6, 294, 0.00, 0, 0, 0.99, 0.00, 0.07, Tennessine),
ELEMTABLE(118, Og, 0.00, 1.60, 1.60, 2.00, 6, 294, 0.00, 0, 0, 0.99, 0.00, 0.06, Oganesson),
// If you add a new element here, please update:
// 1. NUMELEMENTS in elements.cpp
// 2. Add a new const to the end of elements.h
// 3. Update the switch statement for symbol reading in elements.cpp, GetAtomicNum()
// 4. Ditto for the SMILES parser (which has its own switch statement)
// 5. Update the isotope table in elements.cpp, GetExactMass(). Remember to support the '0' value.