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이미지출처 : czechabsinthe.wordpress.com
[Header] {3Line}
1: Name - 구조이름
2: IIPPPPPPPPMMDDYYHHmmddSSssssssssssEEEEEEEEEEEERRRRRR
(FORTRAN: A2[–A8–][—A10–]A2I2[–F10.5-][—F12.5–][-I6-] )
User’s first and last initials (I) 유저의 첫이니셜과 마지막이니셜
program name (P) - 프로그램 이름 8자리
date/time (M/D/Y,H:m) - 일시
dimensional codes (d) - 차원
scaling factors (S, s) - ?
energy (E) if modeling program input - ?
internal registry number ® if input through MDL form -?
3: COMMENTS - 주석 (주석이 없으면 빈줄처리)
[Connection Table] {4Block}
Counts Line [1]
Atom Block [1..*]
Bond Block [1..*]
Properties Block
by 月風
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