MM3 ATOM TYPE LIST


ATOM TYPE SYM DESCRIPTION AT WT
1 C CSP3 12.000
2 C CSP2 ALKENE 12.000
3 C CSP2 CARBONYL 12.000
4 C CSP ALKYNE 12.000
5 H EXCEPT ON N,O,S 1.008
6 O C-O-H, C-O-C, O-O 15.995
7 O =O CARBONYL 15.995
8 N NSP3 14.003
9 N NSP2 14.003
10 N NSP 14.003
11 F FLUORIDE 18.998
12 Cl CHLORIDE 34.969
13 Br BROMIDE 78.918
14 I IODIDE 126.900
15 S -S- (SULFIDE) 31.972
16 S+ >S+ (S-FONIUM) 31.972
17 S >S=O (S-OXIDE) 31.972
18 S >SO2 (SULFONE) 31.972
19 Si SILANE 27.977
20 * not used 999.000
21 H -OH ALCOHOL 1.008
22 C CYCLOPROPANE 12.000
23 H NH AMINE/IMINE 1.008
24 H COOH CARBOXYL 1.008
25 P >P- PHOSPHINE 30.994
26 B TRIGONAL B 11.009
27 B TETRAHEDRAL B 11.009
28 H H-N-C=O (AMIDE) 1.008
29 C* RADICAL 12.000
30 C+ CARBONIUM ION 12.000
31 Ge GERMANIUM 73.922
32 Sn TIN 117.902
33 Pb LEAD (IV) 207.977
34 Se SELENIUM 79.917
35 Te TELLURIUM 129.907
36 D DEUTERIUM 2.014
37 N -N=C-/PYR (DELOCLZD) 14.003
38 C CSP2 CYCPROPENE 12.000
39 N+ NSP3 (AMMONIUM) 14.003
40 N NSP2 (PYRROLE) 14.003
41 O OSP2 (FURAN) 15.995
42 S SSP2 (THIOPHENE) 31.972
43 N =N-O, AZOXY (LOCAL) 14.003
44 H S-H (THIOL) 1.008
45 N AZIDE (CENTER N) 14.003
46 N NITRO 14.003
47 O CARBOXYLATE ION 15.995
48 H AMMONIUM 1.008
49 O EPOXY 15.995
50 C BENZENE (LOCALIZED) 12.000
51 He HELIUM 4.003
52 Ne NEON 20.179
53 Ar ARGON 39.948
54 Kr KRYPTON 83.800
55 Xe XENON 131.300
56 C CSP3 (CYCLOBUTANE) 12.000
57 C CSP2 (CYCLOBUTENE) 12.000
58 C C=O (CYCLOBUTANONE) 12.000
59 Mg MAGNESIUM 24.301
60 P P (V) 30.994
61 Fe IRON (II) 55.847
62 Fe IRON (III) 55.847
63 Ni NICKEL (II) 58.710
64 Ni NICKEL (III) 58.710
65 Co COBALT (II) 58.933
66 Co COBALT (III) 58.933
67 C C=O (CYCLOPROPANONE) 12.000
68 C CUMULENE Csp =C= 12.000
69 O AMINE OXIDE OXYGEN 15.995
70 O KETONIUM OXYGEN 15.995
71 C KETONIUM CARBON 12.000
72 N =N-,IMINE (LOCALZD) 14.003
73 H H-O ENOL (PHENOL) 1.008
74 S S=C 31.972
75 O O-H, O-C (CARBOXYL) 15.995
76 O O=C-C=O 15.995
77 O O=C-O-H (ACID) 15.995
78 O O=C-O-C (ESTER) 15.995
79 O O=C-N< (AMIDE) 15.995
80 O O=C-X (HALIDE) 15.995
81 O O=C-C=C< 15.995
82 O O=C-O-C=O 15.995
83 O O=C(OH)(OH) 15.995
84 O O=C(OH)(OC) 15.995
85 O O=C(OH)(N<) 15.995
86 O O=C(OH)(X) 15.995
87 O O=C(OH)(C=C<) 15.995
88 O O=C(OH)(O-C=O) 15.995
89 O O=C(O-C)(O-C) 15.995
90 O O=C(O-C)(N<) 15.995
91 O O=C(O-C)(X) 15.995
92 O O=C(O-C)(C=C<) 15.995
93 O O=C(O-C)(O-C=O) 15.995
94 O O=C(N<)(N<) 15.995
95 O O=C(N<)(X) 15.995
96 O O=C(N<)(C=C<) 15.995
97 O O=C(N<)(O-C=O) 15.995
98 O O=C(X)(X) 15.995
99 O O=C(X)(C=C<) 15.995
100 O O=C(X)(O-C=O) 15.995
101 O O=C(C=C)(C=C) 15.995
102 O O=C(C=C)(O-C=O) 15.995
103 O O=C(O-C=O)(O-C=O) 15.995
104 S -S-S- DISULFIDE 31.972
105 S -S- POLYSULFIDE 31.972
106 C C=O (KETENE) 12.000
107 N -N=N- (AZO) (LOCAL) 14.003
108 N N-OH (OXIME) 14.003
109 N -N=, AZOXY (LOCAL) 14.003
110 N+ -N(+)= (IMMINIUM) 14.003
111 N+ -N(+)= (PYRIDINIUM) 14.003
112 * not used 999.000
113 CH C(FERROCENE-H) 12.000
114 CP C(FERROCENE-C) 12.000
115 O O=C(C=O)(C=O) 15.995
116 O O=C(C=O)(OH) 15.995
117 O O=C(C=O)(OC) 15.995
118 O O=C(C=O)(N<) 15.995
119 O O=C(C=O)(X) 15.995
120 O O=C(C=O)(C=C<) 15.995
121 O O=C(C=O)(O-C=O) 15.995
122 * not used 999.000
123 * not used 999.000
124 H H-C ACETYLENE 1.008
125 Ca CALCIUM 39.963
126 Sr STRONTIUM 87.906
127 Ba BARIUM 137.905
128 La LANTHANUM 138.906
129 Ce CERIUM 139.905
130 Pr PRAESEODYMIUM 140.907
131 Nd NEODYMIUM 141.908
132 Pm PROMETHIUM 145.000
133 Sm SAMARIUM 151.920
134 Eu EUROPIUM 152.921
135 Gd GADOLINIUM 157.924
136 Tb TERBIUM 159.925
137 Dy DYSPROSIUM 163.929
138 Ho HOLMIUM 164.930
139 Er ERBIUM 165.930
140 Tm THULIUM 168.934
141 Yb YTTERBIUM 173.939
142 Lu LUTETIUM 174.941
143 N =N-O, AZOXY (DELO.) 14.003
144 N -N=, AZOXY (DELO.) 14.003
145 O >N-OH (HYDROXYAMINE) 15.995
146 N >N-OH (HYDROXYAMINE) 14.003
147 * not used 999.000
148 O -O-(ANHYDRIDES-LOCL) 15.995
149 O -O-(ANHYDRIDES-DELO) 15.995
150 N NSP3(HYDRAZINE) 14.003
151 N NSP2(AMIDE-DELCO) 14.003
152 * not used 999.000
153 P >P=O PHOSPHATE 30.994
154 S >SO2 (SULFONAMIDE) 31.972
155 N NSP3 (SULFONAMIDE) 14.003
200 Du Dummy 0.001