; this is the definition for penicilline
; © KP van Gend	02-Apr-91
;		08-May-91 now uses full commands...
;
; NOTE: the language may seem strange to you sometimes: it isn't all English
; here, i don't know all names in English.

THeader " "
TFooter "Penicilline       ©KP van Gend 2-Apr-91"

Data 1
;r ang h   type line	;nr comm 
0    0 -20   N4	  2	; 1 Low central N
0    0  20   C0   3	; 2 upper central C
40   0  20   C0   4	; 3 right upper C
40   0 -20   C0   1	; 4 right lower C
65   6  30   H6   3	; 5 h to right upper C
70  58  30   N4   3	; 6 right end N
70  58  56   H6   6	; 7 H to N
73  54  40   H6   6	; 8 H to N
65   0 -30   O8	 30	; 9 double O right low
25  40  30   H6	  2	;10 H connected to upper central C
36  20  30   S2	  2	;11 S
36  24 -30   C0   1	;12 C below S, to low central N
72  24   0   C0  11	;13 C between 11 and 12
105 21   0   C0  13	;14 C front to 13
90  28   0   C0  13	;15 C back of 13
65  13 -40   C0  12     ;16 C of carboxyl-group
75   9 -35   O8  27     ;17 double O of carboxyl
90  17 -60   O8  16	;18 single O
100 14 -70   H6  18	;19 H of single O
;
96  18   0   H6  14	;20 H to 14
126 21  22   H6  14	;21 H to 14
126 21 -22   H6  14	;22 H to 14
126 27   0   H6  15	;23 H to 15
75  31 -22   H6  15	;24 H to 15
75  31  22   H6  15     ;25 H to 15
; the following are just for completing all bindings.
72  24   0  In12 12	;26 connectionline between 12 and 13
70  10 -42  In12 16	;27 first connection between 16 and 17
70  12 -33  In12 16	;28 second
75   9 -35  In12 28	;29 connection   
57  63 -21  In12  4	;30 first connection between 30 en 4
57   1 -29  In12  4	;31 second
65   0 -30  In12 31     ;32 connection
EndData

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