PDB Code: TOT
X-PLOR files
Heterogen file generated from the PDB Het Group Dictionary
RESIDUE TOT 115
CONECT C1 3 C2 C10 H1
CONECT C2 3 C1 C3 H2
CONECT C3 3 C2 C4 H3
CONECT C4 3 C3 C11 H4
CONECT N5 3 C6 C7 C11
CONECT C6 4 N5 1H6 2H6 3H6
CONECT C7 3 N5 C8 S9
CONECT C8 3 C7 C18 H8
CONECT S9 2 C7 C10
CONECT C10 3 C1 S9 C11
CONECT C11 3 C4 N5 C10
CONECT C12 3 C13 C17 N21
CONECT C13 3 C12 C14 H13
CONECT C14 3 C13 C15 H14
CONECT C15 3 C14 C16 H15
CONECT C16 3 C15 C17 H16
CONECT C17 3 C12 C16 C18
CONECT C18 3 C8 C17 C19
CONECT C19 3 C18 C20 H19
CONECT C20 3 C19 N21 H20
CONECT N21 3 C12 C20 C22
CONECT C22 4 N21 C23 1H22 2H22
CONECT C23 4 C22 C24 1H23 2H23
CONECT C24 4 C23 N25 1H24 2H24
CONECT N25 4 C24 C26 C28 C29
CONECT C26 4 N25 C27 1H26 2H26
CONECT C27 4 C26 C56 1H27 2H27
CONECT C28 4 N25 1H28 2H28 3H28
CONECT C29 4 N25 1H29 2H29 3H29
CONECT C31 3 C32 C40 H31
CONECT C32 3 C31 C33 H32
CONECT C33 3 C32 C34 H33
CONECT C34 3 C33 C41 H34
CONECT N35 3 C37 C41 C36
CONECT C36 4 N35 1H36 2H36 3H36
CONECT C37 3 N35 C38 S39
CONECT C38 3 C37 C48 H38
CONECT S39 2 C37 C40
CONECT C40 3 C31 S39 C41
CONECT C41 3 C34 N35 C40
CONECT C42 3 C43 C47 N51
CONECT C43 3 C42 C44 H43
CONECT C44 3 C43 C45 H44
CONECT C45 3 C44 C46 H45
CONECT C46 3 C45 C47 H46
CONECT C47 3 C42 C46 C48
CONECT C48 3 C38 C47 C49
CONECT C49 3 C48 C50 H49
CONECT C50 3 C49 N51 H50
CONECT N51 3 C42 C50 C52
CONECT C52 4 N51 C53 1H52 2H52
CONECT C53 4 C52 C54 1H53 2H53
CONECT C54 4 C53 N55 1H54 2H54
CONECT N55 4 C54 C56 C58 C59
CONECT C56 4 C27 N55 1H56 2H56
CONECT C58 4 N55 1H58 2H58 3H58
CONECT C59 4 N55 1H59 2H59 3H59
CONECT H1 1 C1
CONECT H2 1 C2
CONECT H3 1 C3
CONECT H4 1 C4
CONECT 1H6 1 C6
CONECT 2H6 1 C6
CONECT 3H6 1 C6
CONECT H8 1 C8
CONECT H13 1 C13
CONECT H14 1 C14
CONECT H15 1 C15
CONECT H16 1 C16
CONECT H19 1 C19
CONECT H20 1 C20
CONECT 1H22 1 C22
CONECT 2H22 1 C22
CONECT 1H23 1 C23
CONECT 2H23 1 C23
CONECT 1H24 1 C24
CONECT 2H24 1 C24
CONECT 1H26 1 C26
CONECT 2H26 1 C26
CONECT 1H27 1 C27
CONECT 2H27 1 C27
CONECT 1H28 1 C28
CONECT 2H28 1 C28
CONECT 3H28 1 C28
CONECT 1H29 1 C29
CONECT 2H29 1 C29
CONECT 3H29 1 C29
CONECT H31 1 C31
CONECT H32 1 C32
CONECT H33 1 C33
CONECT H34 1 C34
CONECT 1H36 1 C36
CONECT 2H36 1 C36
CONECT 3H36 1 C36
CONECT H38 1 C38
CONECT H43 1 C43
CONECT H44 1 C44
CONECT H45 1 C45
CONECT H46 1 C46
CONECT H49 1 C49
CONECT H50 1 C50
CONECT 1H52 1 C52
CONECT 2H52 1 C52
CONECT 1H53 1 C53
CONECT 2H53 1 C53
CONECT 1H54 1 C54
CONECT 2H54 1 C54
CONECT 1H56 1 C56
CONECT 2H56 1 C56
CONECT 1H58 1 C58
CONECT 2H58 1 C58
CONECT 3H58 1 C58
CONECT 1H59 1 C59
CONECT 2H59 1 C59
CONECT 3H59 1 C59
END
HET TOT 115
HETNAM TOT 1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)-
HETNAM 2 TOT BIS-4-(3-METHYL-2,3-DIHYDRO-(BENZO-1,3-THIAZOLE)-2-
HETNAM 3 TOT METHYLIDENE)-QUINOLINIUM TETRAIODIDE
#HETNAM 5 TOT C49 H58 N6 S2 I4
FORMUL TOT C49 H58 N6 S2 4+