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来自「最经典的分子对结软件」· HTML 代码 · 共 158 行

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<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML EXPERIMENTAL 970324//EN"><HTML><HEAD><META NAME="GENERATOR" CONTENT="Adobe FrameMaker 5.5/HTML Export Filter"><LINK REL="STYLESHEET" HREF="Manual.css"><TITLE> chem.defn</TITLE></HEAD><BODY BGCOLOR="#ffffff"><H2 CLASS="Heading-3"><A NAME="pgfId=20180"> </A><A NAME="97377"> </A>chem.defn</H2><P CLASS="Body"><A NAME="pgfId=20183"> </A>This file contains labels and definitions for chemical labeling.</P><UL><LI CLASS="Body-Bullet"><A NAME="pgfId=20260"> </A>Nothing in addition to a label is assigned to an atom.</LI><LI CLASS="Body-Bullet"><A NAME="pgfId=20261"> </A>A label may have multiple definition lines.</LI></UL><P CLASS="Body"><A NAME="pgfId=22469"> </A>For an explanation of the definition field, see <A HREF="Manual.45.html#43103" CLASS="XRef">Atom definition rules on page 104</A>.</P><H3 CLASS="Table"><A NAME="pgfId=20213"> </A>Table 10. Entries from chem.defn</H3><TABLE><TR><TD ROWSPAN="1" COLSPAN="1"><P CLASS="Normal"><A NAME="pgfId=20186"> </A>name            hydrophobic</P><P CLASS="Normal"><A NAME="pgfId=20187"> </A>&nbsp;</P><P CLASS="Normal"><A NAME="pgfId=20188"> </A>definition      C. [ O. ] [ N. [ 2 O.2 ] [ 2 C. ] ] ( * )</P><P CLASS="Normal"><A NAME="pgfId=20189"> </A>definition      N.pl3 ( 3 C. )</P><P CLASS="Normal"><A NAME="pgfId=20190"> </A>definition      Cl ( C. )</P><P CLASS="Normal"><A NAME="pgfId=20191"> </A>definition      Br ( C. )</P><P CLASS="Normal"><A NAME="pgfId=20192"> </A>definition      I ( C. )</P><P CLASS="Normal"><A NAME="pgfId=20193"> </A>definition      C.3 [ * ]</P><P CLASS="Normal"><A NAME="pgfId=20194"> </A>________________________________________________________</P><P CLASS="Normal"><A NAME="pgfId=20195"> </A>name            donor</P><P CLASS="Normal"><A NAME="pgfId=20196"> </A>&nbsp;</P><P CLASS="Normal"><A NAME="pgfId=20197"> </A>definition      N. ( H )</P><P CLASS="Normal"><A NAME="pgfId=20198"> </A>definition      N.4 [ * ]</P><P CLASS="Normal"><A NAME="pgfId=20199"> </A>________________________________________________________</P><P CLASS="Normal"><A NAME="pgfId=20200"> </A>name            acceptor</P><P CLASS="Normal"><A NAME="pgfId=20201"> </A>&nbsp;</P><P CLASS="Normal"><A NAME="pgfId=20202"> </A>definition      O. [ H ] [ N. ] ( * )</P><P CLASS="Normal"><A NAME="pgfId=20203"> </A>definition      O.3 ( 1 * ) [ N. ]</P><P CLASS="Normal"><A NAME="pgfId=20204"> </A>definition      O.co2 ( C.2 ( O.co2 ) )</P><P CLASS="Normal"><A NAME="pgfId=20205"> </A>definition      N. [ H ] [ N. ] [ O. ] [ 3 . ] ( * )</P><P CLASS="Normal"><A NAME="pgfId=20206"> </A>definition      O.2 [ * ]</P><P CLASS="Normal"><A NAME="pgfId=20207"> </A>________________________________________________________</P><P CLASS="Normal"><A NAME="pgfId=20208"> </A>name            polar</P><P CLASS="Normal"><A NAME="pgfId=20209"> </A>&nbsp;</P><P CLASS="Normal"><A NAME="pgfId=20210"> </A>definition      O.3 ( H )</P><P CLASS="Normal"><A NAME="pgfId=20211"> </A>definition      F [ * ]</P><P CLASS="Normal"><A NAME="pgfId=20212"> </A>&nbsp;</P></TD></TR></TABLE><DIV><H6 CLASS="New-Page"><A NAME="pgfId=20265"> </A>&nbsp;</H6></DIV><CENTER><P>

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